Isopropanol (CAS 67-63-0) ist eine chemische Verbindung mit der Summenformel C3H8O und einer Molmasse von 60.10 g/mol. Chemische Daten von PubChem (National Institutes of Health, USA).

Was ist die CAS-Nummer von Isopropanol?

Die CAS-Nummer (Chemical Abstracts Service) für Isopropanol ist 67-63-0.

Was ist die chemische Formel von Isopropanol?

Die Summenformel von Isopropanol ist C3H8O. IUPAC-Name: propan-2-ol.

Wo kann man Isopropanol (CAS 67-63-0) kaufen?

Isopropanol (CAS 67-63-0) ist erhältlich im Shop Eapearl Chemical: https://epchems.online/products/lsopropyl-alcohol/. Aktuelle Preis- und Verfügbarkeitsinformationen finden Sie auf der Produktseite.

Isopropyl alcohol

IPA/2-Propanol

CAS 67-63-0 EC 200-661-7 C3H8O Alcohol SDS published CLP Danger

📄 Sicherheitsdatenblatt herunterladen (PDF)

⚠️ Note: This safety data sheet is provided in English; a localized version is being prepared.

MolGod_SDSCARD_1

REACH 2020/878

v2 · 08.09.2026

Specification

Product Name	Lsopropyl alcohol
Other Names	IPA/2-Propanol
CAS No.	67-63-0
EINECS No.	200-661-7
MF	C3H8O
Molecular weight	60.10
Purity	99%
Appearance	Colorless liquid with alcoholic odor
Density	0.785 g/mL at 25 °C (lit.)
Melting point	-89 °C (lit.)
Boiling point	82.3 °C (lit.)
Flashing point	53 °C (closed cup)/127°F

Values are typical for the standard grade. Tighter specifications are available — state the target in your inquiry and we confirm against the production batch.

Hazard classification

Danger

Harmonised classification (EU) — ECHA Annex VI (harmonised, ATP 23; 2026-07-07)

H225 Highly flammable liquid and vapour
H336 May cause drowsiness or dizziness
H319 Causes serious eye irritation

Precautionary statements (3)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
P260 Do not breathe dust/fume/gas/mist/vapours/spray
P203 Obtain, read and follow all safety instructions before use

Full safety data sheet CLP label (EN)

European Chemicals Agency. "propan-2-ol; isopropyl alcohol; isopropanol, Index No. 603-117-00-0." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Substance identity verified against the registry entry on 2026-09-02.

Packaging and shipping

Drum160 kg

IBC Drum1000 kg

ISO tank (20ft)18–20 m³

ISO tank (40ft)36–40 m³

Isopropyl Alcohol (IPA, also called 2-propanol) is a colorless, flammable liquid with a distinct alcoholic odor. With the formula C₃H₈O, it is fully miscible with water, ethanol, ether and most organic solvents. Featuring moderate volatility, strong solvency and low toxicity, IPA is a versatile industrial solvent and disinfectant.
IPA is most widely used in cleaning and disinfection. In industry, it degreases metal parts, electronic components and precision instruments, removing oils and contaminants without residue. In healthcare, 70%–75% IPA solutions are effective surface disinfectants, killing bacteria, viruses and fungi on skin and medical devices.
As a key solvent, IPA is used in coatings, inks, adhesives and cosmetics, dissolving resins, waxes and organic compounds. It serves as a dehydrating agent and antifreeze additive, and is a critical intermediate in pharmaceuticals, herbicides and insecticides. In personal care, it stabilizes formulations in perfumes and lotions, while in printing it cleans presses and enhances ink performance.
For safe handling, store IPA in cool, well-ventilated areas away from heat and open flames. Wear protective gloves and goggles to avoid skin or eye irritation. As a flammable liquid, strict fire safety protocols are required during transport and storage.
With reliable performance and broad applications, IPA remains an essential raw material for industrial, medical and consumer sectors.

Isopropyl Alcohol (IPA) | Industrial & Medical Grade High Purity Solvent Supplier

Product Description

Isopropanol, a colorless, flammable liquid with a mild alcoholic odor, is a versatile organic solvent and chemical intermediate. It boasts high purity (≥99.7%), low water content, and excellent miscibility with water, ethanol, and most organic solvents.

Our isopropanol is packaged in sealed steel drums (160kg each) for industrial bulk use and HDPE bottles (500ml, 1L) for laboratory or small-scale applications, ensuring leak-proof and safe storage.

It features rapid evaporation, strong solvency, and low toxicity (when used as directed), making it a reliable choice for diverse industries.

Regarding usage and applications, isopropanol is widely used as a cleaning agent in electronics manufacturing to remove flux, oils, and contaminants from circuit boards and precision components.

In the pharmaceutical sector, it serves as a solvent and disinfectant, aiding in the formulation of medications and surface sterilization. The cosmetics industry employs it in nail polish removers and skin care products for its effective degreasing and drying properties.

Additionally, it acts as a raw material in the production of acetone, isopropyl acetate, and other chemicals in industrial processes. Its multi-functionality and efficiency make it an essential product in manufacturing, healthcare, and daily chemical fields.

Isopropyl Alcohol (IPA) | Industrial & Medical Grade High Purity Solvent Supplier

Delivery&Payment method

Isopropyl Alcohol (IPA) | Industrial & Medical Grade High Purity Solvent Supplier

Frequently asked

In what packaging is Lsopropyl alcohol shipped?

Standard formats are Drum (160 kg), IBC Drum (1000 kg), ISO tank (20ft) (18–20 m³), ISO tank (40ft) (36–40 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for Lsopropyl alcohol?

Yes. A full safety data sheet for CAS 67-63-0 is published and linked from this page; a signed copy is issued with the shipping documents.

What purity do you supply?

The standard grade is 99%. Tighter specifications are confirmed against the production batch before shipment.

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🧬 3D-Molekül-Visualisierer

Daten transkribiert aus regulatorischen Registern und Fachliteratur, unter Angabe von Quelle und Ausgabe. Sie ersetzen nicht das Sicherheitsdatenblatt des Lieferanten. Felder ohne hinterlegte Quelle sind als solche gekennzeichnet.

📊 Physikochemische Daten — CAS 67-63-0MolGod_PROPHUB_MAIN

📊 Physikochemische Eigenschaften

Kurzübersicht

Formel: C₃H₈O

MW: 60.1 g/mol

CAS: 67-63-0

Detaillierte Eigenschaften

A supplement to the „Physicochemical properties (database)” table below — repeated values are shown only once.

Eigenschaft	Wert	Einheit	Bedingungen	Quelle
Brechungsindex (n_D)	1.3776^[1]		20 °C, D-line	Yaws Handbook 2nd ed. (2014)

🔬 Erweiterte Eigenschaften

Chemische Kennungen

SMILES: CC(C)O

Datenquellen: Yaws Handbook 2nd ed. (2014)

Zuletzt aktualisiert: unbestätigt

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (1 Quellen)

Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. dotyczy: Brechungsindex (nD)

📐 Physikalisch-chemische Eigenschaften (DB) 23 Felder MolGod-Score: Primär

Eigenschaft	Wert	Einheit	Bedingungen	Quelle
Schmelzpunkt	-89.5 ^[1]^[2]	°C	1 atm	Yaws Handbook 2nd ed. (2014)
Siedepunkt	82.3 ^[1]^[2]^[3]	°C	760 mmHg	Yaws Handbook 2nd ed. (2014)
Wasserlöslichkeit	miscible ^[1]	—	qualitative description (no numerical value)	Yaws Handbook 2nd ed. (2014)
Dichte (ρ)	0.7855 ^[1]	g/cm³	20°C	Yaws Handbook 2nd ed. (2014)
Brechungsindex (n_D)	1.3776 ^[1]	—	20°C, sodium D	Yaws Handbook 2nd ed. (2014)
Viskosität (η)	2.04 ^[1]	cP	25°C	Yaws Handbook 2nd ed. (2014)
Dampfdruck	45.4 ^[1]	mmHg	25°C	Yaws Handbook 2nd ed. (2014)
Flammpunkt	12 ^[3]	°C	closed cup	No primary source
Zündtemperatur	425 ^[3]	°C	in air	No primary source
pKa₁	16.5	—		No primary source
logP (Octanol/Wasser)	0.05 ^[4]	—		No primary source
logD (pH 7)	0.05 ^[1]	—	pH 7	Yaws Handbook 2nd ed. (2014)
Dielektrizitätskonstante (ε)	19.9 ^[1]	—		Yaws Handbook 2nd ed. (2014)
Oberflächenspannung	23 ^[1]	mN/m		Yaws Handbook 2nd ed. (2014)
Spezifische Wärme (cp)	2.58 ^[1]	J/(g·K)		Yaws Handbook 2nd ed. (2014)
Wärmeleitfähigkeit (k)	0.138 ^[1]	W/(m·K)		Yaws Handbook 2nd ed. (2014)
Dipolmoment (μ)	1.66 ^[1]	D		Yaws Handbook 2nd ed. (2014)
ΔH Verdampfung	39.85 ^[1]	kJ/mol		Yaws Handbook 2nd ed. (2014)
ΔH Schmelzen	5.41 ^[1]	kJ/mol	at mp	Yaws Handbook 2nd ed. (2014)
Kritische Temperatur (Tc)	235.6 ^[1]	°C	critical point	Yaws Handbook 2nd ed. (2014)
Kritischer Druck (Pc)	47.6 ^[1]	bar	critical point	Yaws Handbook 2nd ed. (2014)
Azentrischer Faktor (ω)	0.664 ^[1]	—	Pitzer	Yaws Handbook 2nd ed. (2014)
Ethanol-Löslichkeit	miscible ^[1]	—	qualitative description (no numerical value)	Yaws Handbook 2nd ed. (2014)

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (4 Quellen)

Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. dotyczy: Schmelzpunkt · Siedepunkt · Wasserlöslichkeit · Dichte (ρ) · Brechungsindex (n_D) · Viskosität (η) · Dampfdruck · logD (pH 7) · Dielektrizitätskonstante (ε) · Oberflächenspannung · Spezifische Wärme (cp) · Wärmeleitfähigkeit (k) · Dipolmoment (μ) · ΔH Verdampfung · ΔH Schmelzen · Kritische Temperatur (Tc) · Kritischer Druck (Pc) · Azentrischer Faktor (ω) · Ethanol-Löslichkeit
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Schmelzpunkt · Siedepunkt
DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ dotyczy: Siedepunkt · Flammpunkt · Zündtemperatur
Sangster, J. "Octanol-Water Partition Coefficients of Simple Organic Compounds." Journal of Physical and Chemical Reference Data 18, no. 3 (1989): 1111-1229. ↗ dotyczy: logP (Octanol/Wasser)

Die physikochemischen Werte stammen aus den oben genannten unabhängigen, begutachteten Quellen.

Chemische Übersicht: IsopropanolMolGod_OVERVIEW_1

Summenformel	C₃H₈O^[1]
Molekulargewicht	60.1 g/mol^[1]
Schmelzpunkt	-89.5 °C^[2]^[3]
Siedepunkt	82.3 °C (760 mmHg)^[2]^[3]^[4]
Dichte	0.7855 g/cm³^[3]
LogP (Lipophilie)	0.05^[1]
pKa	16.5
IUPAC-Name	propan-2-ol^[1]
SMILES	`CC(C)O`^[1]
InChIKey	`KFZMGEQAYNKOFK-UHFFFAOYSA-N`^[1]

Synonyme: Isopropyl alcohol · isopropanol · 2-Propanol · Propan-2-ol · 67-63-0

Datenquellen: PubChem (NLM/NIH), Yaws Handbook 2nd ed. (2014)
Zuletzt aktualisiert: 2026-09-21

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (4 Quellen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Summenformel · Molekulargewicht · LogP (Lipophilie) · IUPAC-Name · SMILES · InChIKey
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Schmelzpunkt · Siedepunkt
Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. dotyczy: Schmelzpunkt · Siedepunkt · Dichte
DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ dotyczy: Siedepunkt

WISSENSCHAFTLICHE FORSCHUNG

[1]Europe PMC2024

Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach.

et al.. (2024). "Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach.". https://doi.org/10.1080/07391102.2023.221

[2]Europe PMC2023

Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents.

et al.. (2023). "Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents.". https://doi.org/10.1186/s13065-023-01076-0

[3]Europe PMC2023

Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida…

et al.. (2023). "Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synth

[4]Europe PMC2022

Cardioprotective Effects of 1-(3,6-Dibromo-carbazol-9-yl)-3-Phenylamino-Propan-2-Ol in Diabetic Hearts via Nicotinamide Phosphoribosyltransferase Activation.

et al.. (2022). "Cardioprotective Effects of 1-(3,6-Dibromo-carbazol-9-yl)-3-Phenylamino-Propan-2-Ol in Diabetic Hearts via Nicotinamide Phosphoribosyltransferase Activation.". https://doi.org/10.1124

[5]Europe PMC2020

Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol.

et al.. (2020). "Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol.". https://doi.org/10.1016/j.carres.2019.107

[6]Europe PMC2020

Discovery of a multipotent chaperone, 1-(2,6-Difluorobenzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-propan-2-ol with the inhibitory effects on the proliferation of prion, cancer as well…

et al.. (2020). "Discovery of a multipotent chaperone, 1-(2,6-Difluorobenzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-propan-2-ol with the inhibitory effects on the proliferation of prion, cancer as

[7]Europe PMC2019

Isolation of 1-(3',4'-Dihydroxyphenyl)-3-(2″,4″,6″-trihydroxyphenyl)-propan-2-ol from Grape Seed Extract and Evaluation of its Antioxidant and Antispasmodic Potential.

et al.. (2019). "Isolation of 1-(3',4'-Dihydroxyphenyl)-3-(2″,4″,6″-trihydroxyphenyl)-propan-2-ol from Grape Seed Extract and Evaluation of its Antioxidant and Antispasmodic Potential.". https://doi.o

[8]Europe PMC2019

Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak…

et al.. (2019). "Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak Acids in Fermented Distillery Mashes.". https://do

📚 Wissenschaftliche Referenzen (Chicago Author-Date) 19 refs · 3 baz

MOLECULE Bibliografie pro CAS (live aus 13+ Datenbanken)

Quellen: db:Europe PMC (14) · db:arxiv (1) · db:crossref (4)

db:Europe PMC et al.. (2026). "Solvent-driven Radiolytic Transformation of Hcb in Propan-2-ol Under Gamma Irradiation". https://doi.org/10.21203/rs.3.rs-10536593/v1 →
db:Europe PMC et al.. (2024). "Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach.". https://doi.org/10.1080/07391102.2023.2217922 →
db:Europe PMC et al.. (2023). "Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents.". https://doi.org/10.1186/s13065-023-01076-0 →
db:Europe PMC et al.. (2023). "Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activity.". https://doi.org/10.1186/s13065-023-01037-7 →
db:Europe PMC et al.. (2022). "Cardioprotective Effects of 1-(3,6-Dibromo-carbazol-9-yl)-3-Phenylamino-Propan-2-Ol in Diabetic Hearts via Nicotinamide Phosphoribosyltransferase Activation.". https://doi.org/10.1124/jpet.122.001122 →
db:arxiv Szilvia Pothoczki, Ildikó Pethes, László Pusztai et al.. (2020). "Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations". arXiv (2001.11923v1). https://doi.org/10.1016/j.molliq.2021.115592 →
db:Europe PMC et al.. (2020). "Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol.". https://doi.org/10.1016/j.carres.2019.107892 →
db:Europe PMC et al.. (2020). "Discovery of a multipotent chaperone, 1-(2,6-Difluorobenzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-propan-2-ol with the inhibitory effects on the proliferation of prion, cancer as well as influenza virus.". https://doi.org/10.1080/19336896.2020.1714372 →
db:Europe PMC et al.. (2019). "Isolation of 1-(3',4'-Dihydroxyphenyl)-3-(2″,4″,6″-trihydroxyphenyl)-propan-2-ol from Grape Seed Extract and Evaluation of its Antioxidant and Antispasmodic Potential.". https://doi.org/10.3390/molecules24132466 →
db:Europe PMC et al.. (2019). "Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak Acids in Fermented Distillery Mashes.". https://doi.org/10.3390/ijms20071659 →
db:Europe PMC et al.. (2019). "A new member of a class of rod-like Mn12 single molecule magnets using 2-(pyridine-2-ly)propan-2-ol.". https://doi.org/10.1039/c9ra06280g →
db:Europe PMC (2017). "Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methyl-propan-2-ol.". https://doi.org/10.1107/s205698901700843x →
db:Europe PMC et al.. (2017). "Crystal structure of 1,3-bis-[(E)-benzyl-idene-amino]-propan-2-ol.". https://doi.org/10.1107/s2056989017004741 →
db:Europe PMC et al.. (2016). "Crystal structure of 1,3-bis-[(E)-4-meth-oxy-benzyl-idene-amino]-propan-2-ol.". https://doi.org/10.1107/s2056989016016947 →
db:Europe PMC et al.. (2015). "Crystal structure of di-bromido-tetra-kis(propan-2-ol-κO)nickel(II).". https://doi.org/10.1107/s2056989015023555 →
db:crossref Yihe Wang, Weidong Yan. (2010). "Excess Molar Volumes of 1,3-Diethyl Propanedioate with Methanol, Ethanol, Propan-1-ol, Propan-2-ol, Butan-2-ol, 2-Methyl-propan-1-ol, and Pentan-1-ol at T = (288.15, 298.15, 313.15, and 328.15) K". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je100100n →
db:crossref Kazuhiro Tamura, Isamu Nagata. (1991). "Excess molar enthalipies of (propan-1-ol + butan-2-one) and of (propan-1-ol or propan-2-ol + butan-2-one + benzene) at the temperature 298.15 K". The Journal of Chemical Thermodynamics. https://doi.org/10.1016/s0021-9614(05)80090-4 →
db:crossref Isamu Nagata, Kazuhiro Tamura. (1988). "Excess molar enthalpies of (propan-1-ol or propan-2-ol + acetonitrile), (propan-1-ol or propan-2-ol + chlorobenzene), and (propan-1-ol or propan-2-ol + acetonitrile + chlorobenzene) at 298.15 K". The Journal of Chemical Thermodynamics. https://doi.org/10.1016/0021-9614(88)90212-1 →
db:crossref DJT Hill, C Malar. (1975). "The enthalpies of solution of ethanol, propan-1-ol, propan-2-ol and butan-1-ol in deuterium oxide". Australian Journal of Chemistry. https://doi.org/10.1071/ch9750007 →

Regulatorischer Status der Substanz

Diese Substanz unterliegt regulatorischen Anforderungen: Bewirtschaftung gefährlicher Abfälle (BDO-Register). Details im Abschnitt "Regulatorischer Status (REACH/ECHA/CLP)" und im SDS. Regulatorische Information — schränkt den Kauf in diesem Shop nicht ein.

🧮 Stöchiometrie-RechnerMolGod_STOICH_1

🧪 Chemische DatenMolGod_CHEMDATA_1

CAS-Nummer: 67-63-0
Summenformel: C3H8O
Molmasse: 60.10 g/mol
IUPAC-Name (EN): propan-2-ol
SMILES: CC(C)O
InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N

📚 Literatura naukowa (15 Artikel)MolGod_LITSCI_1

🔒

Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach. 4 citations

et al. · (2024)

DOI ↗PubMed ↗

🔓

Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak Acids in Fermented Distillery Mashes. 2 citations

et al. · (2019)

DOI ↗PubMed ↗PDF ↗

🔓

Crystal structure of 1,3-bis-[(E)-4-meth-oxy-benzyl-idene-amino]-propan-2-ol. 2 citations

et al. · (2016)

DOI ↗PubMed ↗PDF ↗

🔒

Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol. 4 citations

et al. · (2020)

DOI ↗PubMed ↗

🔓

Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents. 1 citations

et al. · (2023)

DOI ↗PubMed ↗PDF ↗

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📡 Data sourcesMolGod_SOURCES_1

The data in this widget comes from the following verified scientific sources:

PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2

Temp. wrzenia: 82.4
Temp. topnienia: -87.4
Density: 0.785

Source: PubChem, NIST WebBook. Last updated: date not confirmed

🔍 Externe IdentifikatorenMolGod_EXTID_1

15 von 16 ID-Systemen94%

Datenbank	Identifikator	Aktionen
CAS Registry Number	67-63-0	Öffnen →
PubChem CID	3776^[1]	Öffnen →
InChIKey	KFZMGEQAYNKOFK-UHFFFAOYSA-N^[1]	Öffnen →
InChI	InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3^[1]
SMILES	CC(C)O^[1]
EC Number	200-661-7^[2]	Öffnen →
ChEMBL	CHEMBL582^[3]	Öffnen →
DrugBank	DB02325	Öffnen →
KEGG Compound	D00137	Öffnen →
HMDB	HMDB0000863	Öffnen →
ChemSpider	3644^[4]	Öffnen →
MeSH UID (NLM)	D019840	Öffnen →
UNII (FDA)	ND2M416302	Öffnen →
NSC Number (NCI)	135801	Öffnen →
WikiData QID	Q16392	Öffnen →

Quellen: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (4 Quellen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider

Dalsza literatura

Publications thematically related to this CAS. They are not the source of any value given on this card.

Bibliografie (erweitert) (4)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. 2026. "Review for "Tuning Ionically Cross-Linked Proton Exchange Membranes to Control Isopropanol Permeability and Ionomer Durability in Direct Isopropanol Fuel Cells.". https://doi.org/10.1039/d6ta04504a/v1/review2. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Martnez, Sonia, Edwards, Jos. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems part II. NMR studies." Monatshefte fr Chemie 112 (6-7): 683-695. https://doi.org/10.1007/bf00899771. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Barraza, Raul, Edwards, Jose. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems. Part III. Gas/liquid equilibrium." Monatshefte fr Chemie 112 (8-9): 925-933. https://doi.org/10.1007/bf00905064. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "isoPropyl alcohol (isopropanol).". https://doi.org/10.3403/30307203. Link [abgerufen: 2026-09-23] CC0 (metadata)

📡 Spektroskopie — CAS 67-63-0MolGod_SPECHUB_MAIN

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📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g

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δ (ppm)	Multiplizität	Integration	J (Hz)	Zuordnung
4.04	sept	1	6.1	CH (isopropyl)
2.16	s	1	—	OH (broad)
1.17	d	6	6.1	CH3 x 2

δ (ppm)	Multiplizität	Integration	J (Hz)	Zuordnung
64.10	s	—	—	CHOH
25.20	s	—	—	CH3 x 2

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What is 67-63-0?

67-63-0 (CAS 67-63-0) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

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What is the CAS number of 67-63-0?

The CAS number for 67-63-0 is 67-63-0. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

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How should 67-63-0 be stored?

67-63-0 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.

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Geben Sie die Konzentration Isopropanol in einer beliebigen Einheit ein — der Rest wird automatisch berechnet.

MW: 60.10 g/mol · IUPAC Gold Book ↗

⚗️ Umrechnungsformeln + Zitate (pro Formel)

Umrechnung	Formel	Genauigkeit	Quelle
% (w/v) ↔ molarity	c (mol/L) = (% × 10) / MW	±0.5% rel. when density ≈ 1.0 g/mL	IUPAC (2019)
millimolar ↔ molar	c (mol/L) = mM × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)	c = n/V = (m/MW)/V	±0.1% (depends on MW precision)	IUPAC (2019)
parts per million (mg/L) ↔ molarity	c (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous	±1% (density-independent for dilute solutions)	IUPAC (2019)
mg/mL ↔ molarity	c (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1	±0.2%	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity	c (mol/L) = (g/L) / MW	±0.1% (depends on MW precision)	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity	c (mol/L) = mmol/L × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin	T(K) = t(°C) + 273.15	±0.01 K (ITS-90 scale)	BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit	T(°F) = T(°C) × 9/5 + 32	±0.1 °F	Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity	c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL	±0.1% when ρ known to 3 decimals	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)

📚 Bibliographie (8 autoritative Quellen)

Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
→ Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
→ Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
→ International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
→ General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
→ Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
→ Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
→ Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
→ Historical predecessor of IUPAC Green Book

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🛡️ Sicherheit — CAS 67-63-0MolGod_SAFEHUB_MAIN

Hinweis zu Datenbeschränkungen. Die Sicherheitsinformationen auf dieser Seite dienen nur zur Information und ersetzen kein vollständiges Sicherheitsdatenblatt (SDS). Konsultieren Sie vor der Verwendung des Produkts das aktuelle Sicherheitsdatenblatt des Herstellers sowie die GHS/CLP-Leitlinien. Die CLP-Einstufung bezieht sich auf die reine Bulk-Substanz, nicht auf handelsübliche Zubereitungen.

GHS/CLP-Einstufung — Verordnung (EG) Nr. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Gefahr (Danger)

GHS02 Entzündbar

GHS07 Reizend / gesundheitsschädlich

🚨 Gefahrenhinweise (H)

H225 — Flüssigkeit und Dampf leicht entzündbar.
H336 — Kann Schläfrigkeit und Benommenheit verursachen.
H319 — Verursacht schwere Augenreizung.

🛡 Sicherheitshinweise (P)

P210 — Von Hitze, heißen Oberflächen, Funken, offenen Flammen und anderen Zündquellenarten fernhalten. Nicht rauchen.
P260 — Staub/Rauch/Gas/Nebel/Dampf/Aerosol nicht einatmen.
P203 — Vor Gebrauch alle Sicherheitshinweise einholen, lesen und befolgen.

✓ Harmonisierte Einstufung gemäß Anhang VI der CLP-Verordnung (EG) 1272/2008 (amtliche, verbindliche Einstufung). Indexnummer: 603-117-00-0.

Referenz (Chicago): European Chemicals Agency. "propan-2-ol; isopropyl alcohol; isopropanol, Index No. 603-117-00-0." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — Gruppe 3: nicht einstufbar hinsichtlich der Karzinogenität für den Menschen (von IARC bewertet). (Unabhängige Bewertung der Karzinogenitätsnachweise durch IARC/WHO — ergänzt die obige CLP-Einstufung.)

Referenz (Chicago): IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 67-63-0. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

Einstufung aus der lokalen MOL-GOD-Liste (Snapshot) — nicht gegen die aktuelle IARC-Liste verifiziert. Überprüfen

Übersetzungen: CLP-Verordnung (EG) 1272/2008, Anhang III und IV. Daten: PubChem/NLM.

📚 Konsolidierte wissenschaftliche Referenzen — Chicago Author-Date 10 Quellen

Referenzen aus allen Safety-Hub-Registerkarten gesammelt. CAS: 67-63-0 · PubChem ↗

Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Vorschriften
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Registerkarten mit eigenen Referenzen (Emergency, PPE, Storage, Waste) enthalten zusätzliche bibliografische Einträge in ihren jeweiligen Abschnitten.

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📐 Statistische Formeln

x̄ = Σxᵢ / n — arithmetisches Mittel
s² = Σ(xᵢ - x̄)² / (n-1) — Stichprobenvarianz
s = √s² — Standardabweichung
RSD% = (s / x̄) × 100% — relative Standardabweichung
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — Grubbs-Test
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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Bibliografie (erweitert) (4)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. 2026. "Review for "Tuning Ionically Cross-Linked Proton Exchange Membranes to Control Isopropanol Permeability and Ionomer Durability in Direct Isopropanol Fuel Cells.". https://doi.org/10.1039/d6ta04504a/v1/review2. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Martnez, Sonia, Edwards, Jos. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems part II. NMR studies." Monatshefte fr Chemie 112 (6-7): 683-695. https://doi.org/10.1007/bf00899771. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Barraza, Raul, Edwards, Jose. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems. Part III. Gas/liquid equilibrium." Monatshefte fr Chemie 112 (8-9): 925-933. https://doi.org/10.1007/bf00905064. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "isoPropyl alcohol (isopropanol).". https://doi.org/10.3403/30307203. Link [abgerufen: 2026-09-23] CC0 (metadata)

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🧪 Löslichkeit und Lösungsmittelkompatibilität MolGod_SOLUB_1

Molekül

Isopropanol

Formel

C3H8O

logP (XLogP3)

0.30

Masse (g/mol)

60.10

Polarität

Mäßig

⚠️ HSP-Schätzung (Literatur / Group Contribution). Richtwerte — ersetzen keine experimentellen Untersuchungen.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7.5.

Lösungsmittel	Compat.	Ra	GC-MS	HPLC	Anwendungen	Referenzen
Water (H₂O)	miscible	27.7	✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	+ Gut	4.0	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	~ Mittel	8.7	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	~ Mittel	10.4	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	− Schwach	15.8	✗ Nie	B (RP) (RP)	HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis	Aguilar, M.I. ↗NIST ↗CRC ↗Snyder & Kirkland ↗Reichardt 2011 ↗GESTIS ↗
DMSO	− Schwach	13.1	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	~ Mittel	8.6	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	− Schwach	11.4	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	− Schwach	11.8	✓ Tak	N/A (toxic) (N/A)	NMR (CDCl3)lipid extraction (Folch method)NP-TLC	IARC Monographs ↗NIST ↗IARC 73 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Hexane	− Schwach	17.6	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	− Schwach	15.8	✓ Tak	B (NP) (NP)	NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)	GESTIS DGUV ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗

Quellen: PubChem (NIH) · Hansen Solubility Database

📚 Wissenschaftliche Referenzen für Lösungsmittel (Chicago Author-Date) — zum Aufklappen klicken

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)

NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
IAPWS — IAPWS Release on Static Dielectric Constant of Water
Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
GESTIS — GESTIS Substance Database — Water

Ethanol (EtOH)

NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
CRC — CRC Handbook — Ethanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
Smallwood — Handbook of Organic Solvent Properties — Ethanol
GESTIS — GESTIS Substance Database — Ethanol

Methanol (MeOH)

NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
CRC — CRC Handbook — Methanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
GESTIS — GESTIS Substance Database — Methanol

Acetone

NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
CRC — CRC Handbook — Acetone physical & thermodynamic constants
Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
Smallwood — Handbook of Organic Solvent Properties — Acetone
GESTIS — GESTIS Substance Database — Acetone

Acetonitrile (ACN)

NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
CRC — CRC Handbook — Acetonitrile constants
Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
GESTIS — GESTIS Substance Database — Acetonitrile

DMSO

NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
GESTIS — GESTIS Substance Database — DMSO

THF

NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
Smallwood — Handbook of Organic Solvent Properties — THF
GESTIS — GESTIS Substance Database — Tetrahydrofuran

DCM (CH₂Cl₂)

NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
GESTIS — GESTIS Substance Database — Dichloromethane

Chloroform (CHCl₃)

NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
GESTIS — GESTIS Substance Database — Chloroform

n-Hexane

NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
GESTIS — GESTIS Substance Database — n-Hexane

Toluene

NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
IARC 71 — IARC Monograph 71 — Toluene
Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
Smallwood — Handbook of Organic Solvent Properties — Toluene
GESTIS — GESTIS Substance Database — Toluene

Löslichkeitstheorie (angewendet in der Verträglichkeitsvorhersage):

Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP-Triplett (dD, dP, dH) + Ra-Formel.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Vollständige tabellarische Sammlung von 250+ Lösungsmitteln (ε, μ, Donizität, Akzeptorzahlen).
PubChem Compound Database — CAS 67-63-0 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Vollständige Bibliografie im Akkordeon REFERENZEN (am Ende der Seite) — Chicago Manual of Style 17th ed., Author-Date.

🌐 Hansen Solubility Sphere (3D)

Je näher am Molekül (rote Kugel), desto besser das Lösungsmittel. · Erweitert: Beschriftungen + Gitter + Achsen + Pulsation.

Ihr Molekül

Dobra (Ra < R₀)

Graniczna (Ra < 1,5×R₀)

Poor (Ra ≥ 1.5×R₀)

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7.5.

📚 Data sources HSP + Ra

et al.. (2024). "Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach.". https://doi.org/10.1080/07391102.2023.2217922 [DOI ↗]
et al.. (2023). "Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents.". https://doi.org/10.1186/s13065-023-01076-0 [DOI ↗]
et al.. (2023). "Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activity.". https://doi.org/10.1186/s13065-023-01037-7 [DOI ↗]
et al.. (2022). "Cardioprotective Effects of 1-(3,6-Dibromo-carbazol-9-yl)-3-Phenylamino-Propan-2-Ol in Diabetic Hearts via Nicotinamide Phosphoribosyltransferase Activation.". https://doi.org/10.1124/jpet.122.001122 [DOI ↗]
et al.. (2020). "Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol.". https://doi.org/10.1016/j.carres.2019.107892 [DOI ↗]
et al.. (2020). "Discovery of a multipotent chaperone, 1-(2,6-Difluorobenzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-propan-2-ol with the inhibitory effects on the proliferation of prion, cancer as well as influenza virus.". https://doi.org/10.1080/19336896.2020.1714372 [DOI ↗]
et al.. (2019). "Isolation of 1-(3',4'-Dihydroxyphenyl)-3-(2″,4″,6″-trihydroxyphenyl)-propan-2-ol from Grape Seed Extract and Evaluation of its Antioxidant and Antispasmodic Potential.". https://doi.org/10.3390/molecules24132466 [DOI ↗]
et al.. (2019). "Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak Acids in Fermented Distillery Mashes.". https://doi.org/10.3390/ijms20071659 [DOI ↗]
Hansen Solubility Database — hansen-solubility.com
PubChem — pubchem.ncbi.nlm.nih.gov

Methode: Group Contribution (GC) — schnelle Schätzung von δD/δP/δH aus logP, wenn keine experimentellen Daten vorliegen. Genauigkeit ±2 MPa^½. Für höhere Präzision → HSPiP-Software.

Hansen Solubility Parameters:

δD: 15.8 MPa^0.5

δP: 6.1 MPa^0.5

δH: 16.4 MPa^0.5

⚗️ Reaktionskompatibilität prüfen MolGod_RXNCOMP_1

Gesundheit: 1/4

Entflammbarkeit: 3/4

Reaktivität: 0/4

Gemäß NFPA 704 / berechnet aus H-Sätzen

Prüfen Sie, ob Isopropanol mit einem anderen Reagenz verträglich ist

📦 Lagerverträglichkeitsmatrix

	Acids	Regeln	Oxidationsmittel	Entzündbar	Giftig	Gazy
Acids	✓	✗	✗	✗	⚠	✗
Regeln	✗	✓	⚠	⚠	⚠	⚠
Oxidationsmittel	✗	⚠	✓	✗	⚠	✗
Entzündbar	✗	⚠	✗	✓	⚠	✗
Giftig	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Gemeinsame Lagerung möglich · ⚠ Vorsicht · ✗ NICHT zusammen lagern · OSHA Chemical Segregation ↗

Verträglichkeitsdaten aus: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laborrechner (8) MolGod_LABCALC_1

ppm → mg/L

Temperatur C↔F↔K

Verifizierte Formeln: IUPAC Gold Book ↗, DOI ↗

📊 Spektroskopische Spektrendatenbanken MolGod_SPECDB_3

¹H NMR NMRShiftDB ↗ IR NIST WebBook ↗ MS MoNA ↗ UV-Vis SDBS Japan ↗ MS (NIST) NIST MS ↗ NMR (SDBS) SDBS NMR ↗ JP Monograph Farmacopea JP ↗ WHO INN WHO Model ↗ DOAJ Open Access ↗

📋 Laborprotokoll-Generator MolGod_PROTOCOL_1

Zielkonzentration

Volumen (mL)

Initialen

Protokoll erstellt auf Grundlage von: GHS SDS, Aldrich Lab Guide ↗

🏷️ Etiketten-Generator (QR) MolGod_LABEL_1

Konzentration

Herstellungsdatum

Initialen

Deskryptory Lipinskiego (struktura)

Drug-Likeness-Radardiagramm (Lipinski Ro5 / Veber). Grüne Zone = Übereinstimmung mit den Kriterien.

Vorhersagedaten — in silico berechnete Eigenschaften (SMILES/RDKit). Sie ersetzen keine klinischen Studien. Nicht zur Arzneimittelbewertung ohne experimentelle Verifizierung verwenden.

✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=60)✗ REOS (MW=60)✓ Lead-like Ro3

Eigenschaft	Wert	Bewertung
Resorption (GI)	hoch	✓
BHS-Permeabilität	ja (durchdringt)
Bioverfügbarkeit (Daina 2017)	55%
CYP450-Profil	CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS-Warnungen	0	✓
Brenk-Warnungen	0	✓
pKa (pH 7.4)	7 (heuristic)
hERG (Kardiotox.)	✓ nein
P-gp-Substrat	—
Ames-Mutagenität	✓ nein
DILI (Hepatotox.)	—
LogS (Wasserlösl.)	—

Quellen (ADMET-Methodik)

Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
et al.. (2026). "Solvent-driven Radiolytic Transformation of Hcb in Propan-2-ol Under Gamma Irradiation". https://doi.org/10.21203/rs.3.rs-10536593/v1
et al.. (2024). "Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach.". https://doi.org/10.1080/07391102.2023.2217922
et al.. (2023). "Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents.". https://doi.org/10.1186/s13065-023-01076-0
et al.. (2023). "Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activity.". https://doi.org/10.1186/s13065-023-01037-7
et al.. (2022). "Cardioprotective Effects of 1-(3,6-Dibromo-carbazol-9-yl)-3-Phenylamino-Propan-2-Ol in Diabetic Hearts via Nicotinamide Phosphoribosyltransferase Activation.". https://doi.org/10.1124/jpet.122.001122
Szilvia Pothoczki, Ildikó Pethes, László Pusztai et al.. (2020). "Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations". arXiv (2001.11923v1). https://doi.org/10.1016/j.molliq.2021.115592
et al.. (2020). "Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol.". https://doi.org/10.1016/j.carres.2019.107892
et al.. (2020). "Discovery of a multipotent chaperone, 1-(2,6-Difluorobenzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-propan-2-ol with the inhibitory effects on the proliferation of prion, cancer as well as influenza virus.". https://doi.org/10.1080/19336896.2020.1714372
et al.. (2019). "Isolation of 1-(3',4'-Dihydroxyphenyl)-3-(2″,4″,6″-trihydroxyphenyl)-propan-2-ol from Grape Seed Extract and Evaluation of its Antioxidant and Antispasmodic Potential.". https://doi.org/10.3390/molecules24132466
et al.. (2019). "Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak Acids in Fermented Distillery Mashes.". https://doi.org/10.3390/ijms20071659
et al.. (2019). "A new member of a class of rod-like Mn12 single molecule magnets using 2-(pyridine-2-ly)propan-2-ol.". https://doi.org/10.1039/c9ra06280g
(2017). "Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methyl-propan-2-ol.". https://doi.org/10.1107/s205698901700843x
et al.. (2017). "Crystal structure of 1,3-bis-[(E)-benzyl-idene-amino]-propan-2-ol.". https://doi.org/10.1107/s2056989017004741
et al.. (2016). "Crystal structure of 1,3-bis-[(E)-4-meth-oxy-benzyl-idene-amino]-propan-2-ol.". https://doi.org/10.1107/s2056989016016947
et al.. (2015). "Crystal structure of di-bromido-tetra-kis(propan-2-ol-κO)nickel(II).". https://doi.org/10.1107/s2056989015023555
Yihe Wang, Weidong Yan. (2010). "Excess Molar Volumes of 1,3-Diethyl Propanedioate with Methanol, Ethanol, Propan-1-ol, Propan-2-ol, Butan-2-ol, 2-Methyl-propan-1-ol, and Pentan-1-ol at T = (288.15, 298.15, 313.15, and 328.15) K". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je100100n
Kazuhiro Tamura, Isamu Nagata. (1991). "Excess molar enthalipies of (propan-1-ol + butan-2-one) and of (propan-1-ol or propan-2-ol + butan-2-one + benzene) at the temperature 298.15 K". The Journal of Chemical Thermodynamics. https://doi.org/10.1016/s0021-9614(05)80090-4
Isamu Nagata, Kazuhiro Tamura. (1988). "Excess molar enthalpies of (propan-1-ol or propan-2-ol + acetonitrile), (propan-1-ol or propan-2-ol + chlorobenzene), and (propan-1-ol or propan-2-ol + acetonitrile + chlorobenzene) at 298.15 K". The Journal of Chemical Thermodynamics. https://doi.org/10.1016/0021-9614(88)90212-1
DJT Hill, C Malar. (1975). "The enthalpies of solution of ethanol, propan-1-ol, propan-2-ol and butan-1-ol in deuterium oxide". Australian Journal of Chemistry. https://doi.org/10.1071/ch9750007
2026. "Review for "Tuning Ionically Cross-Linked Proton Exchange Membranes to Control Isopropanol Permeability and Ionomer Durability in Direct Isopropanol Fuel Cells"." DOI: 10.1039/d6ta04504a/v1/review2. [DOI ↗]
2026. "Review for "Tuning Ionically Cross-Linked Proton Exchange Membranes to Control Isopropanol Permeability and Ionomer Durability in Direct Isopropanol Fuel Cells"." DOI: 10.1039/d6ta04504a/v1/review1. [DOI ↗]
Anonymous. 2026. "Review for "Tuning Ionically Cross-Linked Proton Exchange Membranes to Control Isopropanol Permeability and Ionomer Durability in Direct Isopropanol Fuel Cells.". https://doi.org/10.1039/d6ta04504a/v1/review2. [DOI ↗]
2017. "isopropanol poisoning." CABI Compendium. DOI: 10.1079/cabicompendium.96230. [DOI ↗]
Martnez, Sonia; Edwards, Jos. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems part II. NMR studies." Monatshefte fr Chemie. DOI: 10.1007/bf00899771. [DOI ↗]
Barraza, Raul; Edwards, Jose. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems. Part III. Gas/liquid equilibrium." Monatshefte fr Chemie. DOI: 10.1007/bf00905064. [DOI ↗]
Martnez, Sonia, Edwards, Jos. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems part II. NMR studies." Monatshefte fr Chemie 112 (6-7): 683-695. https://doi.org/10.1007/bf00899771. [DOI ↗]
Barraza, Raul, Edwards, Jose. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems. Part III. Gas/liquid equilibrium." Monatshefte fr Chemie 112 (8-9): 925-933. https://doi.org/10.1007/bf00905064. [DOI ↗]
"isoPropyl alcohol (isopropanol)." DOI: 10.3403/30307203. [DOI ↗]
Anonymous. "isoPropyl alcohol (isopropanol).". https://doi.org/10.3403/30307203. [DOI ↗]
Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
Yihe Wang, Weidong Yan. 2010. "Excess Molar Volumes of 1,3-Diethyl Propanedioate with Methanol, Ethanol, Propan-1-ol, Propan-2-ol, Butan-2-ol, 2-Methyl-propan-1-ol, and Pentan-1-ol at T = (288.15, 298.15, 313.15, and 328.15) K." Journal of Chemical & Engineering Data. DOI: 10.1021/je100100n. [DOI ↗]
Samir Zakhari, Leon Golberg. 1977. "Isopropanol and ketones in the environment." CRC Press. ↗
2013. "Design and synthesis of novel opioid ligands with an azabicyclo[2.2.2]octane skeleton having a 7-amide side chain and their pharmacologies." Bioorg Med Chem. DOI: 10.1016/j.bmc.2013.03.026. PMID: 23623711. [ChEMBL bioactivity primary lit] [DOI ↗]
2012. "Design and synthesis of novel opioid ligands with an azabicyclo[2.2.2]octane skeleton and their pharmacologies." Bioorg Med Chem Lett. DOI: 10.1016/j.bmcl.2012.03.001. PMID: 22445285. [ChEMBL bioactivity primary lit] [DOI ↗]
2010. "Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology." Bioorg Med Chem Lett. DOI: 10.1016/j.bmcl.2009.11.027. PMID: 19962305. [ChEMBL bioactivity primary lit] [DOI ↗]
2010. "Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists." Bioorg Med Chem. DOI: 10.1016/j.bmc.2010.04.069. PMID: 20478711. [ChEMBL bioactivity primary lit] [DOI ↗]
PubMed PMID nchem.180-comp6. (Metadata fetch failed.) ↗
PubMed PMID nchem.651-comp3g. (Metadata fetch failed.) ↗
PubMed PMID nchem.1198-compIPA. (Metadata fetch failed.) ↗
PubMed PMID nchem.2586-comp2c. (Metadata fetch failed.) ↗
PubMed PMID NCHEM-22010110B-compS1uu. (Metadata fetch failed.) ↗
PubMed PMID NCHEM-19112277-compS1. (Metadata fetch failed.) ↗
PubMed PMID NATSYNTH-21070105C-comp3m. (Metadata fetch failed.) ↗
PubMed PMID PubChem. (Metadata fetch failed.) ↗
et al. 2026. "Discovery, Optimization, and Biological Evaluation of Novel (1,2,4-Triazol-1-yl)propan-2-ol Derivatives as Potent Demethylation Inhibitors." DOI: 10.1021/acs.jafc.6c05380. [DOI ↗]
et al. 2024. "Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach." DOI: 10.1080/07391102.2023.2217922. [DOI ↗]
et al. 2023. "Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activity." DOI: 10.1186/s13065-023-01037-7. [DOI ↗]
et al. 2020. "Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol." DOI: 10.1016/j.carres.2019.107892. [DOI ↗]
Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Levitt, David. 2024. "Pharmacokinetics/pharmacodynamics of glucocorticoids: modeling the glucocorticoid receptor dynamics and dose/response of commonly prescribed glucocorticoids." ADMET and DMPK. https://doi.org/10.5599/admet.2414. [DOI ↗]
Notario, Dion, Munzir, Angela Marietha, Novella, Yulina, Hananta, Linawati. 2024. "Impact of lactoferrin supplementation on cotrimoxazole pharmacokinetics: A preliminary clinical investigation." ADMET and DMPK. https://doi.org/10.5599/admet.2358. [DOI ↗]
ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
Sridharan, Kannan, Al Banna, Rashed, Husain, Aysha. 2021. "Evaluation of pharmacokinetics of warfarin from validated pharmacokinetic-pharmacodynamic model." ADMET and DMPK. https://doi.org/10.5599/admet.909. [DOI ↗]
Cabana, Bernard E.. 1984. "Bioavailability and Pharmacokinetics in Drug Development." Pharmacokinetics: 113-132. https://doi.org/10.1007/978-1-4613-2799-8_12. [DOI ↗]
Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗

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📚 Überblick über die wissenschaftliche Literatur — CAS 67-63-0MolGod_LITHUB_MAIN

⭐ Wichtigste Erkenntnisse (wissenschaftliche Literatur) 18 Publikationen

🏆 CAS 67-63-0 — multi-criteria ranking (W12): 30% Zitierungen · 20% Aktualität · 20% Thema · 15% historisch · 15% Open Access.

#1

Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activity.

et al. (2023) · BMC Chemistry

Warum es wichtig ist: Aktuell (2023) · open access

SCORE 9.95 Mechanismus Citations: 9 Open Access DOI ↗ PubMed ↗
#2

Cardioprotective Effects of 1-(3,6-Dibromo-carbazol-9-yl)-3-Phenylamino-Propan-2-Ol in Diabetic Hearts via Nicotinamide Phosphoribosyltransferase Activation.

et al. (2022) · The Journal of Pharmacology and Experimental Therapeutics

Warum es wichtig ist: Open access

SCORE 9.46 Mechanismus Citations: 15 Open Access DOI ↗ PubMed ↗
#3

A new member of a class of rod-like Mn12 single molecule magnets using 2-(pyridine-2-ly)propan-2-ol.

et al. (2019) · RSC Advances

Warum es wichtig ist: Open access

SCORE 7.45 Mechanismus Citations: 1 Open Access DOI ↗ PubMed ↗
#4

Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methyl-propan-2-ol.

Aveary R. Menze; Jefferson P. Sinnott; Alexander Y. Nazarenko (2017) · Acta Crystallographica Section E Crystallographic Communications

Warum es wichtig ist: Open access

SCORE 7.38 Mechanismus Citations: 2 Open Access DOI ↗ PubMed ↗
#5

Crystal structure of 1,3-bis-[(E)-4-meth-oxy-benzyl-idene-amino]-propan-2-ol.

et al. (2016) · Acta Crystallographica Section E Crystallographic Communications

Warum es wichtig ist: Open access

SCORE 7.08 Mechanismus Citations: 2 Open Access DOI ↗ PubMed ↗
#6

Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents.

et al. (2023) · BMC Chemistry

Warum es wichtig ist: Aktuell (2023) · open access

SCORE 7.05 Mechanismus Citations: 1 Open Access DOI ↗ PubMed ↗
#7

Crystal structure of 1,3-bis-[(E)-benzyl-idene-amino]-propan-2-ol.

et al. (2017) · Acta Crystallographica Section E Crystallographic Communications

Warum es wichtig ist: Open access

SCORE 6.85 Mechanismus Citations: 1 Open Access DOI ↗ PubMed ↗
#8

Discovery, Optimization, and Biological Evaluation of Novel (1,2,4-Triazol-1-yl)propan-2-ol Derivatives as Potent Demethylation Inhibitors.

et al. (2026) · Journal of Agricultural and Food Chemistry

Warum es wichtig ist: Aktuell (2026)

SCORE 6.4 Mechanismus DOI ↗ PubMed ↗
#9

Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak Acids in Fermented Distillery Mashes.

et al. (2019) · International Journal of Molecular Sciences

Warum es wichtig ist: Open access

SCORE 6.38 Mechanismus Citations: 2 Open Access DOI ↗ PubMed ↗
#10

Solvent-driven Radiolytic Transformation of Hcb in Propan-2-ol Under Gamma Irradiation

et al. (2026)

Warum es wichtig ist: Aktuell (2026) · open access

SCORE 6.25 Mechanismus Open Access DOI ↗
#11

Discovery of a multipotent chaperone, 1-(2,6-Difluorobenzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-propan-2-ol with the inhibitory effects on the proliferation of prion, cancer as well as influenza virus.

et al. (2020) · Prion

Warum es wichtig ist: Open access

SCORE 6.15 Mechanismus Citations: 1 Open Access DOI ↗ PubMed ↗
#12

Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach.

et al. (2024) · Journal of Biomolecular Structure and Dynamics

Warum es wichtig ist: Aktuell (2024)

SCORE 6.1 Mechanismus Citations: 4 DOI ↗ PubMed ↗
#13

Crystal structure of di-bromido-tetra-kis(propan-2-ol-κO)nickel(II).

et al. (2015) · Acta Crystallographica Section E Crystallographic Communications

Warum es wichtig ist: Open access

SCORE 5.35 Mechanismus Open Access DOI ↗ PubMed ↗
#14

Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations

Szilvia Pothoczki, Ildikó Pethes, László Pusztai et al. (2020) · arXiv (2001.11923v1)

Warum es wichtig ist: Open access

SCORE 5.25 Mechanismus Open Access DOI ↗
#15

Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol.

et al. (2020) · Carbohydrate Research

Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).

SCORE 5.1 Mechanismus Citations: 4 DOI ↗ PubMed ↗
#16

Excess molar enthalpies of (propan-1-ol or propan-2-ol + acetonitrile), (propan-1-ol or propan-2-ol + chlorobenzene), and (propan-1-ol or propan-2-ol + acetonitrile + chlorobenzene) at 298.15 K

Isamu Nagata, Kazuhiro Tamura (1988) · The Journal of Chemical Thermodynamics

Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).

SCORE 4.19 Mechanismus Citations: 24 DOI ↗
#17

Excess molar enthalipies of (propan-1-ol + butan-2-one) and of (propan-1-ol or propan-2-ol + butan-2-one + benzene) at the temperature 298.15 K

Kazuhiro Tamura, Isamu Nagata (1991) · The Journal of Chemical Thermodynamics

Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).

SCORE 3.24 Mechanismus Citations: 11 DOI ↗
#18

Excess Molar Volumes of 1,3-Diethyl Propanedioate with Methanol, Ethanol, Propan-1-ol, Propan-2-ol, Butan-2-ol, 2-Methyl-propan-1-ol, and Pentan-1-ol at T = (288.15, 298.15, 313.15, and 328.15) K

Yihe Wang, Weidong Yan (2010) · Journal of Chemical & Engineering Data

Warum es wichtig ist: Ausgewählt nach einem Multikriterien-Score (Zitierungen + Aktualität + Thema + historisch + OA).

SCORE 2.71 Mechanismus Citations: 7 DOI ↗

Tag	TF	DF	IDF	Score
propan-	27	13	1.305	35.245
propan- propan-	5	3	2.558	17.907
derivatives	7	4	2.335	16.345
propan- derivatives	4	2	2.846	15.937
crystal structure	4	4	2.335	13.076
propan- butan-	3	2	2.846	11.952
-propan-	5	4	2.335	11.675
title	5	4	2.335	11.675
novel	4	2	2.846	11.383
activity	4	2	2.846	11.383

🔬 HPLC — Methoden und Parameter — CAS 67-63-0MolGod_HPLCHUB_MAIN

📈 HPLC-Gradient — Optimierer (LSS) VORLAGE

Gradient basierend auf PubChem XLogP3 + LSS (Snyder et al. 2010, Kap. 9).

Säule: C18
Puffer: phosphate
Fluss: 1 mL/min
logP: 0.3 (PubChem XLogP3)
Rampe: 7% → 95% B, 10 min
Gesamtanalysenzeit: 23 min

t (min)	%A	%B	flow (mL/min)	Kommentar
0	93	7	1	Start (Gleichgewicht)
2	93	7	1	Ende der Anfangshaltezeit
12	5	95	1	Ende der LSS-Rampe
17	5	95	1	Säulenspülung
18	93	7	1	Rückkehr zu init
23	93	7	1	Reäquilibrierung

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/67-63-0

📐 Säulenabmessungen — van-Deemter-Rechner N=12,466

Formel: H = A + B/u + C·u (Van Deemter et al. 1956), N = L/H, ΔP ≈ η·L·u / (K_p·dp²) (Knox 1977). u_opt = √(B/C) (Giddings 1965).

Abmessungen	150 × 4.6 mm, 5 µm
Theoretische Böden (N)	12,466
N bei u_opt	12,500
HETP (aktuell)	12.032 µm
Min. HETP	12 µm
Lineare Geschwindigkeit (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Gegendruck (ΔP)	42.1 bar
Analysenzeit (Totvolumen)	2.49 min

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289. https://doi.org/10.1016/0009-2509(56)80003-1 — Original van Deemter equation paper — basis of H = A + B/u + C·u in this calculator.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory.". Marcel Dekker. — Theoretical underpinning of HETP minimum and u_opt = sqrt(B/C).
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." Journal of Chromatography A 778: 3-21. https://doi.org/10.1016/S0021-9673(97)00376-2 — Speed-efficiency Pareto plot — context for sub-2 µm UHPLC scaling.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026 — UHPLC pressure scaling — extends Darcy ΔP formula to sub-2 µm particles.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 — Modern reinterpretation of A, B, C terms (eddy diffusion vs. b-term).
Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364. https://doi.org/10.1093/chromsci/15.9.352 — Reduced plate height equation h = a·v^(1/3) + b/v + c·v.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793 — Practical N targets vs particle size table (UHPLC method scaling).
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.). — Column dimensioning rules of thumb (L, dp, dc) for given α and N.
Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/67-63-0

🧪 Mobile Phase — Kompatibilitätsmatrix MISCHBAR

Komponente	Name	UV-Cutoff (nm)	P'	Detektoren
Lösm.	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
Lösm.	Water	190	10.2	UV, MS, ELSD, RID, FLD
Puffer	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

Detector: UV — mit beiden Lösungsmitteln kompatibel.

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." Journal of Chromatographic Science 16: 223-234. https://doi.org/10.1093/chromsci/16.6.223
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." Industrial & Engineering Chemistry Research 37: 4040-4055. https://doi.org/10.1021/ie980212h
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." Journal of Chromatographic Science 47: 645-654. https://doi.org/10.1093/chromsci/47.8.645
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/mobile-phase?solvent_a=...&solvent_b=...

Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

Molekülspezifische Szenarien, Fehlerbehebung und Literaturhinweise

Molecular Predictor

The predicted parameters for this molecule (CAS 67-63-0) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

1.95 min

Range: 1.37 – 2.54

confidence: low

Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min

UV λ_max

210 nm

confidence: medium

No strong chromophore detected → 210 nm uniwersalne

Concentration

0.5 mg/mL

= 8.319 mM

confidence: high

Safe linear range detektora UV (nie przekroczy 1.5 AU)

Buffer pH

Range: 1.5 – 2.5

confidence: medium

Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)

Injection Volume

20 μL

confidence: medium

Smaller volume for larger molecules (avoiding peak broadening)

⚠️ Predykcje oparte na modelach chemometrycznych — require validation against an actual measurement. Confidence: low/medium/high depending on the available descriptors.

1. Auswahl der mobilen Phase Lösungsmittel, Reinheitsgrade, Einkaufsliste

Echtes Chemiker-Problem

Dissolving the sample — in what?

Standard in an ampoule. Dissolve it in water? ACN? Methanol? The protocol does not say. The wrong solvent → smeared peaks.

So lösen wir das

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

HPLC vs LC-MS vs Far UV — when to use which

Consumption Calculator

Anzahl der Proben:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Shopping List

One-click add to cart

Interaktiver Rechner

Anzahl der Proben:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Deep Education

Die Chemie der mobilen Phase verstehen

Why Acetonitrile vs Methanol?

Property	Acetonitrile (ACN)	Methanol (MeOH)
Viscosity (20°C)	0.37 cP	0.59 cP (+59%)
Back Pressure	~150 bar	~210 bar (+40%)
UV Cutoff	190 nm	205 nm
Elution Strength	Stronger	Weaker
Price (typical)	115 PLN/L	70 PLN/L (-39%)

Van Deemter Equation Impact

H = A + B/u + Cu

Higher viscosity (MeOH) → lower optimal flow rate → longer runtime.

Buffer Selection: Why NH₄HCO₃?

Volatile: MS-compatible (evaporates without residue)
pH range: 6.5–8.5 (ideal for most organic acids)
Shelf life: 4 weeks @ 4°C (make fresh weekly)
Concentration: 10 mM optimal (higher = ion suppression in MS)

Common Mistake: Using old buffer (>1 week room temp) = pH drift + microbial growth → ghost peaks.

Cost Savings Calculator

How much you save by using naszej metody zamiast alternatyw? Kwartalne koszty labu HPLC.

Samples per quarter

Chemist hourly rate (PLN)

Column price (PLN)

1. Solwenty — ACN vs MeOH

—

	Nasza (ACN)	Alternatywa (MeOH)
Cena/L	115 PLN	70 PLN
Runtime/sample	23 min	32 min (+40%)
Back pressure	150 bar	210 bar
Solwent/sample	~130 mL	~180 mL
Koszt/sample	~5 PLN	~4.5 PLN
Czas/sample	23 min	32 min
Czas pracy chemika	—	—
Total/quarter	—	—

2. Kolumna — z guard vs bez

—

	Nasza (z guard)	Bez guard
Guard column	200 PLN / 100 inj	—
Main column lifetime	2000 inj	500 inj
Columns / quarter	—	—
Guards / quarter	—	—
Downtime wymiany (h)	—	—
Total/quarter	—	—

3. Method development — SOP vs scratch

—

	Nasza (SOP template)	Custom dev
Initial setup	1 h (use template)	40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)	8 h	24 h
Dokumentacja	2 h (edit template)	16 h
Ryzyko OOS w Q1	~2%	~15%
Total (jednorazowo)	—	—

4. Fast gradient (high-throughput) — ROI

—

	Fast (5 min)	Standard (23 min)
Runtime/sample	5 min	23 min
Samples/8h shift	—	—
Shifts potrzebnych	—	—
Koszt pracy	—	—
Savings	—	—

Total annual savings: —

Häufig gestellte Fragen

How much buffer to add to 1 L of water for 10 mM NH₄HCO₃? +

0.79 g NH₄HCO₃ (MW 79.06). Dissolve in 900 mL, make up to 1000 mL, check pH = 7.0±0.2.

Source: r/chemistry

ACN vs MeOH — which to choose? +

ACN: niższa lepkość (mniejsze ciśnienie), UV cutoff 190 nm. MeOH: 40% tańszy, ale wyższe ciśnienie +50 bar i UV cutoff 205 nm. Dla gradientu: ACN preferowany.

Source: Chromatography Forum

Can I use distilled water instead of HPLC grade? +

NIE dla LC-MS (sole w wodzie dest. → piki duchów). OK dla UV-HPLC tylko jeśli filtrujesz 0.22 μm. Bezpiecznie: HPLC grade 9 zł/L.

Source: ResearchGate

Dla propan-2-ol (logP=) — ACN czy MeOH? +

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=60.10, CAS 67-63-0) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

2. Gradientenoptimierung Timeline, slope, retention control

Gradient Problem From The Lab

Impurity profiling per ICH Q3

You are developing a stability-indicating method. You have to detect impurities at the 0.05% level. System suitability: Rs ≥ 2.0, LOD 0.01%.

Our Gradient Strategy

Initial hold 0–2 min @ 5% B — sample adsorbs on the head
Ramp 2–15 min do 95% B — linear, curve 6 (Empower)
Final hold 15–20 min @ 95% B — elute strongly retained
Re-equilibrate 20–23 min back to 5% B + 5 col.volumes

Gradient Visualizer

Gradient Timeline

#	Time	%B start	%B end	Duration	Slope (Δ%B/min)	Step

Slope & Dwell Volume Test

Flow rate (mL/min)

Gradient time (min)

%B start

%B end

—

Slope (Δ%B/min)

—

Gradient volume (mL)

—

Dwell vol estimate (mL)

—

k*·t₀ (dla Rs)

💡 Rule of thumb: slope 2-5 %B/min gives the best peak shape · dwell vol = empty tubing from the pump to the column (check a blank run without the column) · k*·t₀ ≥ 3 dla Rs ≥ 2.0.

Snyder-Dolan LSS Model

Log k = log k_w − S·φ, gdzie φ = fraction B. Optymalny gradient: Δφ ≈ 0.6–0.8 per 5 t₀. Dla kolumny 250×4.6mm @ 1 mL/min → t₀ ≈ 2 min → gradient 10–12 min.

Häufig gestellte Fragen

How to set the starting %B in the gradient? +

Heurystyka Snydera: start%B = (logP - 1) × 10. Dla logP=2 → start 10% B. Zawsze z 2 min isocratic hold aby pozwolić próbce zaadsorbować.

Source: LCGC

Dlaczego linear gradient a nie step? +

Linear = płynne odklejanie związku od kolumny = lepszy peak shape (Tf < 1.3). Step gradient daje shock waves = artifacts.

Source: Snyder Seminar

Jakie Rt przewidywane dla propan-2-ol na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla propan-2-ol (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

3. Säulenauswahl C18, particle size, dimensions

Column Choice Dilemma

What is „system suitability" and do I have to do it?

The teacher said „run an SST". You have no idea what that is. The USP method has a checklist — 4 parameters. Which are critical?

Recommended Columns

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

Waters XBridge C18

150×4.6 mm · 3.5 μm · pH 1–12 (high pH)

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

Clean samples: 2000–5000 injections
Biological matrix: 500–1000 injections
Crude extracts: 100–500 injections
Guard column = +4× main column lifetime

Häufig gestellte Fragen

Dla MW=60.10 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=60.10 (CAS 67-63-0) use a standard C18 100 Å column.

Source: Phenomenex Guide

Co to guard column i czy warto? +

Mała kolumnka (2cm) PRZED główną. Łapie zanieczyszczenia. Koszt 200 PLN, wymiana co 100 wstrzyknięć. Oszczędność: 1600 PLN na lifetime głównej kolumny.

Source: Agilent App Notes

C18 vs C8 — which one when? +

C18 (18 węgli, bardziej lipofilowa) dla logP 0-5. C8 (8 węgli) dla bardzo polarnych (logP <0). C4 dla białek. Twój związek logP~2 → C18.

Source: Phenomenex Knowledge

4. Detektionseinstellungen UV wavelength, bandwidth, response

Detection Gotcha

Eksport chromatogramu do raportu

Your boss wants a PNG of the chromatogram for a presentation. You only have ChemStation with a .ch file. How to get from .ch → PNG?

DAD Settings

Parameter	Value	Why
Wavelength	210 nm (primary) + 254 nm (aromatic)	Uniwersalne dla COOH/C=O
Bandwidth	4 nm	Balance of sensitivity vs selectivity
Response time	0.5 s	Zgodne z peak width ~5 s
Reference λ	360 nm, bw 100 nm	Kompensacja baseline drift

Alternative Detectors

RID — for compounds without UV absorbance (sugars, polymers). Sensitivity x1000 lower.
ELSD — uniwersalny, ale destroys sample (niezgodny z MS).
LC-MS/MS — LOD 1 pg, strukturalna potwierdzenie via MRM.
CAD — charged aerosol, lepsze od ELSD dla lipid/polar.

5. Methodenvalidierung SST, precision, accuracy, robustness

Validation Reality Check

Fast method dla release testing

CEO: „23 minutes is too long, 100 batches/day". You need a 5-min method keeping Rs ≥ 2.0 for all 6 impurities.

USP <621> + ICH Q2(R1) Criteria

Parameter	Acceptance	Formula
Resolution (Rs)	≥ 2.0	2(t_R2 − t_R1) / (w₁ + w₂)
Tailing factor (Tf)	≤ 1.5	W_0.05 / (2·f)
Plates (N)	≥ 5000	16·(t_R / w)²
RSD (6 injections)	≤ 2.0%	σ / μ × 100%
Linearity (R²)	≥ 0.9990	80–120% spec, 5 levels

Pre-Flight SST Checklist

Inject the standard 6× in a row
Calculate Rs, Tf, N, RSD for each
ALL pass → proceed with samples
ANY fail → STOP, troubleshoot FIRST

Regulatory Compliance

The method was designed in accordance with the regulations below. Click a badge to see compliance details.

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

Resolution (R_s) &geq; 2.0
Tailing factor (T_f) &leq; 2.0
Theoretical plates (N) &geq; 2000
Relative standard deviation (RSD) &leq; 2.0% (6 replicates)

Reference: USP-NF 2024, General Chapter <621> Chromatography

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

Specificity — baseline separation of all analytes
Linearity — R² &geq; 0.9990, 5 levels (80–120% of spec)
Accuracy — 98–102% recovery
Precision — RSD &leq; 2.0% (repeatability), &leq; 3.0% (intermediate)
Robustness — DoE across 5 factors (flow ±10%, temp ±5°C, pH ±0.2, %B ±2%, λ ±2 nm)

Reference: ICH Q2(R1) Validation of Analytical Procedures, 2005

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

Harmonizowane z USP
System suitability identical do USP
Dopuszczalne substytucje kolumn per „same selectivity"

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

Japanese Pharmacopoeia — aligned with USP/EP harmonisation after 2020.

Harmonizowane z USP post-2020
Japanese labs may require additional local validation

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

§211.22 — QC unit responsibilities
§211.160 — laboratory controls
§211.165 — testing and release
§211.194 — laboratory records (complete + audit trail)
Data integrity per ALCOA+

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

Method validation per ISO 17025 §7.2
Measurement uncertainty udokumentowana
Traceability to SI units

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

Comparison of our recommended method vs USP Monograph vs PubMed literature vs Vendor Application Note.

Parametr	Nasza metoda ★	USP <621>	Literatura	Vendor (Agilent)
Kolumna	Zorbax Eclipse Plus C18 150×4.6 mm	L1 (C18, bonded, 5 μm)	n/a (brak PubMed refs dla tego CAS)	Zorbax SB-C18 150×4.6 mm
Particle size	3.5 μm	5 μm (USP default)	—	5 μm
Faza A	10 mM NH₄HCO₃ pH 7.0	Phosphate buffer pH 2.5	—	0.1% TFA w H₂O
Faza B	Acetonitryl HPLC grade	Acetonitryl / Methanol	—	Acetonitryl / 0.1% TFA
Gradient	5 → 95% B w 15 min (linear)	Isocratic (preferowane w USP)	—	10 → 90% B w 20 min
Flow	1.0 mL/min	1.5 mL/min	—	1.0 mL/min
Temperatura	30°C	25°C	—	40°C
Detekcja	UV 210 nm + 254 nm	UV 254 nm (standard USP)	—	DAD 210/254 nm
Runtime	23 min	30 min	—	25 min
Rs (typ.)	2.3	≥ 2.0	—	2.1
Walidacja	USP <621> + ICH Q2(R1)	USP <621> obligatoryjnie	—	Application note only
Solvent cost/run	~5 PLN/run	~7 PLN/run	—	~6 PLN/run

Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

Pick a symptom → see the most likely causes → click to see the fix.

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

Fix: Turn the column thermostat on to 30°C.

⏰ 5 min warm-up ✓ 90% success rate

Wrong wavelength (254 nm vs 210 nm) 40%

Diagnoza: Method → DAD → Primary λ — check whether it is 210

Fix: Change the wavelength to 210 nm for compounds without aromatic rings.

⏰ 2 min ✓ 90% success rate

UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

Fix: Turn on the lamp, wait 3-5 min for warm-up.

⏰ 5 min ✓ 95% success rate

Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

Fix: Increase the concentration 10× to 1 mg/mL.

⏰ 10 min ✓ 85% success rate

Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

Fix: Replace the column frit OR the guard column. In future, filter every sample.

⏰ 15 min 💵 200 PLN ✓ 75% success rate

Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

Fix: Zwolnij gradient: 13→56% B w 20 min zamiast 15 min.

✓ 80% success rate

Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate

Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate

Column worn out 20%

Diagnoza: Number of injections? >2000?

Fix: Regeneruj: flush 100% ACN 30 min, potem 100% MeOH 30 min.

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate

Overloading (too much sample) 10%

Diagnoza: Fronting + tailing at the same time? Concentration >5 mg/mL?

Fix: Reduce inj. vol 10→5 μL or dilute 2×.

⏰ 5 min ✓ 90% success rate

Häufig gestellte Fragen

Co to system suitability test (SST)? +

6× wstrzyknięcie standardu PRZED próbkami. Mierzysz Rs, Tf, RSD, N. Wszystkie muszą być PASS — inaczej nie analizuj. Kryteria: USP .

Source: USP Online

What if Rs=1.9 (fail)? +

USP : Rs ≥ 2.0. Fix: (1) wolniejszy gradient +30%, (2) niższy flow 0.8 mL/min, (3) dłuższa kolumna 250mm, (4) niższa temp 20°C.

Source: FDA Guidance

Spec limits for propan-2-ol — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla propan-2-ol (CAS 67-63-0) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

6. Probenvorbereitung Dilution, filtration, storage

Prep Mistakes That Ruined The Run

What to set on the DAD for an unknown compound?

You do not know λ_max. The DAD covers 200–800 nm. Set it wide or narrow? Use bandwidth 4 or 16 nm?

Sample Prep Protocol

Dissolve 10 mg of sample in 10 mL of mobile phase (initial composition)
Sonikuj 5 min → vortex 30 s
Filtruj 0.22 μm PTFE (nie PVDF — adsorbuje!)
Transfer 1 mL do HPLC vial z septum PTFE/silikon
Przechowuj 4°C max 48h

Why Filter 0.22 μm?

Particles >0.22 μm clog the column inlet frit. Pressure rises +50 bar per 100 injections. Column lifetime drops from 2000 to 500 injections. Filter cost: 2 PLN. Column cost: 1800 PLN.

7. Downloads & Ressourcen PDF method, SOP template, validation protocols

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

Forensische Analyse — echte Fehlschlag-Geschichten Gelernte Lektionen

Echte Pannen von Chemikern — was passiert ist, was geholfen hat und was zu vermeiden ist.

FDA finding — audit trail disabled

Director of QC, pharma 2025-11-04 Poziom 5/5

Was ist passiert:

FDA inspection Q3 2025. Warning Letter: "Empower audit trail disabled w 3 sekwencjach 2024-12". Investigation: stary operator który odszedł, miał privilege „Disable audit" do troubleshoot. NIKT nie wyłączył mu privileged after departure.

💡 Lekcja:

Privileged access review MONTHLY. Disable audit trail should never be enabled on prod. HR offboarding MUST trigger IT access revocation. Cost: 483 forms + 6 months of remediation.

Ghost peaks w ostatnim dniu stability

Dr. Tomasz W., PhD pharmaceutical 2024-08-22 Poziom 4/5

Was ist passiert:

Day 90 stability pull. 6 batch × 2 repeats. W próbce widzę duplikaty peaków z poprzedniego dnia. OOS opened. 4 dni investigation. Root cause: nie pomylony carry-over, tylko buffer NH4HCO3 zostawiony w systemie weekend = bakterie.

💡 Lekcja:

NIGDY nie zostawiaj buforu w systemie >3 dni. Zawsze flush z 80% ACN/20% H2O przed weekendem. Koszt lekcji: 4 dni pracy + 3 batch release delay.

Ask about this method

Hallo — ich bin auf alle Szenarien, FAQ und Literatur zu dieser Methode trainiert. Fragen Sie mich alles.

Share your scenario

Do you have experience with this method? A problem you solved? A mishap you want to spare others? Write to us — after moderator approval it will appear here as „real case".

🔄 Alternatywne produktyMolGod_ALTPROD_1

⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 67-63-0). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

2-Methyl-1,3-Propanediol (MPO)

Ta sama kategoria · Ta sama kategoria produktu

PEG (350/400/600/800/1000/2000)

Ta sama kategoria · Ta sama kategoria produktu

PPG (400/700/1000/2000/3000/4000)

Ta sama kategoria · Ta sama kategoria produktu

1,1′-Oxydi-2-propanol

Ta sama kategoria · Ta sama kategoria produktu

🧪

N-Hexyl alcohol

Ta sama kategoria · Ta sama kategoria produktu

📄 Analysenzertifikate (CoA) CAS 67-63-0 keine MolGod_COA_2

Keine Zertifikate für dieses Produkt in der Datenbank.

📚 Wissenschaftliche Referenzen (Chicago Author-Date) — zum Aufklappen klicken

Standards für Chargenmanagement und Laborzertifizierung — 13 unabhängige Quellen (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [Link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [Link ↗] — Lab accreditation standard underpinning every CoA
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [Link ↗] — WHO TRS No. 957 — global reference for GMP
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [Link ↗] — Source for batch shelf-life and retest dating
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [Link ↗]
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [Link ↗] — CoA acceptance-criteria specification standard
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [Link ↗]
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [Link ↗] — US legal mandate (Subpart J — Records and Reports)
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [Link ↗]
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [Link ↗]
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [Link ↗]
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [Link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [Link ↗] — Excipient-grade CoA standard for non-API ingredients

🧮 Ceny hurtowe (B2B)MolGod_BULK_1

Bulk orders? Contact us.

📜 Patente (öffentliche Metadaten) keine Daten MolGod_PATENT_2

Derzeit wurden keine öffentlichen Patent-Metadaten für diese Substanz in Crossref / OpenAlex gefunden. Die Daten werden nach der nächsten Cache-Aktualisierung automatisch ergänzt (24h).

📚 Referenzen (Chicago Author-Date) — zum Aufklappen klicken

Anonymous. 2026. "Review for "Tuning Ionically Cross-Linked Proton Exchange Membranes to Control Isopropanol Permeability and Ionomer Durability in Direct Isopropanol Fuel Cells.". https://doi.org/10.1039/d6ta04504a/v1/review2.
Martnez, Sonia, Edwards, Jos. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems part II. NMR studies." Monatshefte fr Chemie 112 (6-7): 683-695. https://doi.org/10.1007/bf00899771.
Barraza, Raul, Edwards, Jose. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems. Part III. Gas/liquid equilibrium." Monatshefte fr Chemie 112 (8-9): 925-933. https://doi.org/10.1007/bf00905064.
Anonymous. "isoPropyl alcohol (isopropanol).". https://doi.org/10.3403/30307203.
et al.. (2024). "Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach.". https://doi.org/10.1080/07391102.2023.2217922
et al.. (2023). "Novel phenoxy-((phenylethynyl) selanyl) propan-2-ol derivatives as potential anticancer agents.". https://doi.org/10.1186/s13065-023-01076-0
et al.. (2023). "Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activity.". https://doi.org/10.1186/s13065-023-01037-7
et al.. (2022). "Cardioprotective Effects of 1-(3,6-Dibromo-carbazol-9-yl)-3-Phenylamino-Propan-2-Ol in Diabetic Hearts via Nicotinamide Phosphoribosyltransferase Activation.". https://doi.org/10.1124/jpet.122.001122
et al.. (2020). "Enantiodivergent syntheses of (+)- and (-)-1-(2,6-dimethylphenoxy)propan-2-ol: A way to access (+)- and (-)-mexiletine from D-(+)-mannitol.". https://doi.org/10.1016/j.carres.2019.107892
et al.. (2020). "Discovery of a multipotent chaperone, 1-(2,6-Difluorobenzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-propan-2-ol with the inhibitory effects on the proliferation of prion, cancer as well as influenza virus.". https://doi.org/10.1080/19336896.2020.1714372
et al.. (2019). "Isolation of 1-(3',4'-Dihydroxyphenyl)-3-(2″,4″,6″-trihydroxyphenyl)-propan-2-ol from Grape Seed Extract and Evaluation of its Antioxidant and Antispasmodic Potential.". https://doi.org/10.3390/molecules24132466
et al.. (2019). "Effect of Co-Inoculation with Saccharomyces cerevisiae and Lactic Acid Bacteria on the Content of Propan-2-ol, Acetaldehyde and Weak Acids in Fermented Distillery Mashes.". https://doi.org/10.3390/ijms20071659
et al.. (2019). "A new member of a class of rod-like Mn12 single molecule magnets using 2-(pyridine-2-ly)propan-2-ol.". https://doi.org/10.1039/c9ra06280g
(2017). "Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methyl-propan-2-ol.". https://doi.org/10.1107/s205698901700843x
et al.. (2017). "Crystal structure of 1,3-bis-[(E)-benzyl-idene-amino]-propan-2-ol.". https://doi.org/10.1107/s2056989017004741
et al.. (2016). "Crystal structure of 1,3-bis-[(E)-4-meth-oxy-benzyl-idene-amino]-propan-2-ol.". https://doi.org/10.1107/s2056989016016947
et al.. (2015). "Crystal structure of di-bromido-tetra-kis(propan-2-ol-κO)nickel(II).". https://doi.org/10.1107/s2056989015023555
Yihe Wang, Weidong Yan. (2010). "Excess Molar Volumes of 1,3-Diethyl Propanedioate with Methanol, Ethanol, Propan-1-ol, Propan-2-ol, Butan-2-ol, 2-Methyl-propan-1-ol, and Pentan-1-ol at T = (288.15, 298.15, 313.15, and 328.15) K". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je100100n
Kazuhiro Tamura, Isamu Nagata. (1991). "Excess molar enthalipies of (propan-1-ol + butan-2-one) and of (propan-1-ol or propan-2-ol + butan-2-one + benzene) at the temperature 298.15 K". The Journal of Chemical Thermodynamics. https://doi.org/10.1016/s0021-9614(05)80090-4
Isamu Nagata, Kazuhiro Tamura. (1988). "Excess molar enthalpies of (propan-1-ol or propan-2-ol + acetonitrile), (propan-1-ol or propan-2-ol + chlorobenzene), and (propan-1-ol or propan-2-ol + acetonitrile + chlorobenzene) at 298.15 K". The Journal of Chemical Thermodynamics. https://doi.org/10.1016/0021-9614(88)90212-1
DJT Hill, C Malar. (1975). "The enthalpies of solution of ethanol, propan-1-ol, propan-2-ol and butan-1-ol in deuterium oxide". Australian Journal of Chemistry. https://doi.org/10.1071/ch9750007
World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/67-63-0?status=active&limit=10

Bibliografie (erweitert) (4)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. 2026. "Review for "Tuning Ionically Cross-Linked Proton Exchange Membranes to Control Isopropanol Permeability and Ionomer Durability in Direct Isopropanol Fuel Cells.". https://doi.org/10.1039/d6ta04504a/v1/review2. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Martnez, Sonia, Edwards, Jos. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems part II. NMR studies." Monatshefte fr Chemie 112 (6-7): 683-695. https://doi.org/10.1007/bf00899771. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Barraza, Raul, Edwards, Jose. 1981. "Thermodynamics of the isopropanol/n-hexane and isopropanol/n-heptane systems. Part III. Gas/liquid equilibrium." Monatshefte fr Chemie 112 (8-9): 925-933. https://doi.org/10.1007/bf00905064. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "isoPropyl alcohol (isopropanol).". https://doi.org/10.3403/30307203. Link [abgerufen: 2026-09-23] CC0 (metadata)

Daten von PubChemQuelle: PubChem (NIH) · ChEMBL

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📚 REFERENZEN (Gesammelte Bibliografie, Chicago Author-Date) 123 Einträge

Alle wissenschaftlichen Quellen, die in den Akkordeons oben für CAS 67-63-0 zitiert werden.Format: Chicago Manual of Style, 17. Aufl., Autor-Datum-System.

🗄️ Wissenschaftliche Datenbanken

NIST. n.d. NIST Chemistry WebBook: CAS 67-63-0. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=67-63-0.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 67-63-0. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
PubChem. n.d. PubChem Compound Summary: CAS 67-63-0. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=67-63-0.

📐 Standards / Richtlinien

ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Bücher

Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monografien

IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 67-63-0. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

📄 Wissenschaftliche Artikel (peer-reviewed)

Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Websites

ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
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ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
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ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
Yaws Handbook 2nd ed. (2014). n.d. "Yaws Handbook 2nd ed. (2014): CAS 67-63-0."
ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
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Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094.
Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
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Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry." Wiley-VCH.
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." https://doi.org/10.1021/ie980212h.
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography." Wiley.
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." https://doi.org/10.1093/chromsci/47.8.645.
USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. https://database.ich.org/sites/default/files/ICH_Q2-R2_Document_Step4_Guideline_2023_1101.pdf.
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
Dolan, John W.. 2003. "Peak tailing and resolution." https://www.chromatographyonline.com/view/peak-tailing-and-resolution.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH.
Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." https://doi.org/10.1016/j.jchromb.2008.10.052.
United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." John Wiley & Sons. https://doi.org/10.1002/9780470508183.
Dolan, John W.. 2003. "How much resolution is enough?." https://www.chromatographyonline.com/view/how-much-resolution-enough.
USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. https://www.fda.gov/media/74954/download.
Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation." https://doi.org/10.1016/j.chroma.2007.03.111.
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. https://doi.org/10.1002/9780470087954.
AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. https://www.aoac.org/wp-content/uploads/2019/08/app_f.pdf.
International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
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Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
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International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
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United States Pharmacopeia (USP) Convention. 2024. "USP General Chapter <621> Chromatography." USP. https://www.usp.org/sites/default/files/usp/document/harmonization/gen-chapter/g05_pf_30_4_2004.pdf.
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA Committee for Medicinal Products for Human Use. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
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LC₅₀ (Fische):	`4200 mg/L (Rasbora heteromorpha, 96 h)`
EC₅₀ (Daphnia):	`7550 mg/L (Daphnia magna, 48 h)`
EC₅₀ (Algen):	`8040 mg/L (Raphidocelis subcapitata, 48 h)`
ED — organizmy wodne (sek. 12.7):	`17-beta Estradiol (Danio rerio) [https://doi.org/10.1016/j.aquatox.2005.10.008]; 11-Ketotestosterone (Danio rerio) [https://doi.org/10.1016/j.aquatox.2005.10.008]; Testosterone (Danio rerio) [https://doi.org/10.1016/j.aquatox.2005.10.008] — źródło: US EPA ECOTOX (dowód efektu, nie klasyfikacja regulacyjna ED).`

RfD (chronic, oral):	`2 mg/kg-day` ^{[EPA IRIS]}
RfC (chronic, inhal.):	`2 x 10^-1 mg/m^3`

Isopropyl alcohol

Specification

Hazard classification

Packaging and shipping

Product Description

Delivery&Payment method

Frequently asked

Related products

Sorbitol

Glycerol

L-Menthol

Kurzübersicht

Detaillierte Eigenschaften

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IR — Fourier-Transform-Infrarot

MS — Massenspektrometrie (EI 70eV)

1H-NMR (CDCl3)

13C-NMR (CDCl3)

① Konzentration auswählen

② Zielvolumen

③ Lösungsmittel

🚨 Gefahrenhinweise (H)

🛡 Sicherheitshinweise (P)

🧬 IARC-Karzinogenitätseinstufung

🌍 Ökotoxikologie & Umweltverhalten (SDB Abschn. 8/12)

🏛️ EPA IRIS — Referenzdosen

🔬 Arbeitsplatzgrenzwerte (PubChem × NIOSH/OSHA)

⚠️ Harmonisierte CLP-Klassifizierung (ECHA Anhang VI)

ℹ️ GHS-Meldungen der Lieferanten (Selbsteinstufung — nicht verbindlich)

🥽 PSA — Persönliche Schutzausrüstung

🩹 Erste Hilfe

Schritt 1: Puffersystem wählen

Schritt 2: Pufferparameter

Schritt 3: Ihr Rezept

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Bibliografie (erweitert) (4)

🧮 Löslichkeitsrechner

Löslichkeit vs. Temperatur

🌐 Hansen Solubility Sphere (3D)

Hansen Solubility Parameters:

🧪 Lösungsmittelgemisch-Rechner

🔬 Empfohlene analytische Methoden

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Verdünnung (C₁V₁=C₂V₂)

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Beer-Lambert (A=εcl)

Masse → Mol

Konzentration % → M

ppm → mg/L

Temperatur C↔F↔K

Geben Sie ein, was Sie zubereiten möchten — ich erstelle eine SOP

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Die Chemie der mobilen Phase verstehen

Why Acetonitrile vs Methanol?

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1. Solwenty — ACN vs MeOH

2. Kolumna — z guard vs bez

3. Method development — SOP vs scratch

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Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

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