Musk Pure (CAS 1222-05-5) ist eine chemische Verbindung mit der Summenformel C18H26O und einer Molmasse von 258.4 g/mol. Chemische Daten von PubChem (National Institutes of Health, USA).

Was ist die CAS-Nummer von Musk Pure?

Die CAS-Nummer (Chemical Abstracts Service) für Musk Pure ist 1222-05-5.

Was ist die chemische Formel von Musk Pure?

Die Summenformel von Musk Pure ist C18H26O. IUPAC-Name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene.

Wo kann man Musk Pure (CAS 1222-05-5) kaufen?

Musk Pure (CAS 1222-05-5) ist erhältlich im Shop Eapearl Chemical: https://epchems.online/products/musk-pure/. Aktuelle Preis- und Verfügbarkeitsinformationen finden Sie auf der Produktseite.

Musk Pure

Abbalibe

CAS 1222-05-5 EC 214-946-9 C18H26O Other

📄 Sicherheitsdatenblatt herunterladen (PDF)

MolGod_SDSCARD_1

REACH 2020/878

v2 · 22.09.2026

Specification

Product Name	Musk Pure
Other Names	Abbalibe
CAS No.	1222-05-5
EINECS No.	214-946-9
MF	C18H26O
Molecular weight	258.4
Purity	99%
Appearance	A colorless to slightly yellowish viscous liquid
Density	1.044 g/ L at 25 °C
Melting point	57-58° °C
Boiling point	304°C (lit.)
Flashing point	230°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.

Packaging and shipping

Drum200 kg

IBC Drum1000 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

Musk Pure(CAS 1222-05-5) is a high-purity fragrance ingredient with excellent stability, long-lasting aroma, and good compatibility. It appears as a colorless to light yellow liquid or crystalline substance at room temperature with a characteristic musk fragrance. With stable chemical properties, it shows strong compatibility with various fragrance and formulation systems. Our Musk Pure is mainly supplied as industrial or cosmetic grade with strict quality control, low impurity content, and stable performance. It is widely used in perfumes, personal care products, and detergent formulations. As a key raw material in fragrance and daily chemical industries, it ensures long-lasting scent and stable performance in various applications.

Musk Pure Multi-functional Solution | Covers fragrances, personal care and detergent formulations | Stable supply & reliable quality

Product Description

Musk Pure is an important high-purity fragrance ingredient widely used in the personal care, detergent, and fragrance industries.It has excellent stability, long-lasting aroma, and good compatibility, making it an essential component in fragrance formulations.It appears as a colorless to light yellow liquid or crystalline substance at room temperature with a characteristic musk odor. Our Musk Pure is produced as cosmetic or industrial grade with high purity, strict control of impurities and odor consistency, ensuring stable and consistent quality for industrial use.

Musk Pure is mainly used in perfumes and personal care products, usually blended with other fragrance components to enhance scent diffusion, longevity, and overall fragrance performance.It is also applied in detergents, air fresheners, and household products as a mild and efficient fragrance ingredient. In usage, Musk Pure is mixed evenly with other components under controlled conditions to ensure uniform fragrance distribution and stability.It is widely applied in perfumes, cosmetics, and cleaning products. With long-lasting fragrance and stable performance, Musk Pure has become an indispensable basic material in modern fragrance and daily chemical industries.

Musk Pure Multi-functional Solution | Covers fragrances, personal care and detergent formulations | Stable supply & reliable quality

Delivery&Payment method

Musk Pure Multi-functional Solution | Covers fragrances, personal care and detergent formulations | Stable supply & reliable quality

Frequently asked

In what packaging is Musk Pure shipped?

Standard formats are Drum (200 kg), IBC Drum (1000 kg), ISO tank (20ft) (24–26 m³), ISO tank (40ft) (48–50 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for Musk Pure?

Yes, on request. Safety data sheets are issued per grade and destination market; state the country of import in your inquiry.

What purity do you supply?

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

Technical reading on Musk Pure

Galaxolide as a raw material: form, carrier, documents

A polycyclic musk bought as a solution, not as a neat solid. What the carrier changes, and how…

Article

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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 1222-05-5MolGod_PROPHUB_MAIN

📊 Physikochemische Eigenschaften

Kurzübersicht

Formel: C₁₈H₂₆O

MW: 258.4 g/mol

CAS: 1222-05-5

🔬 Erweiterte Eigenschaften

Chemische Kennungen

SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C

Zuletzt aktualisiert: 2026-09-21

Eigenschaft	Wert	Einheit	Bedingungen	Quelle
Siedepunkt	128	°C		No primary source
Wasserlöslichkeit	0.002	g/L	25°C	No primary source
logP (Octanol/Wasser)	4.8	—		No primary source

Chemische Übersicht: GalaxolideMolGod_OVERVIEW_1

Summenformel	C₁₈H₂₆O^[1]
Molekulargewicht	258.4 g/mol^[1]
Siedepunkt	128 °C
LogP (Lipophilie)	4.8^[1]
IUPAC-Name	4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene^[1]
SMILES	`CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C`^[1]
InChIKey	`ONKNPOPIGWHAQC-UHFFFAOYSA-N`^[1]

Synonyme: Galaxolide · 1222-05-5 · Abbalide · Galoxolide · HHCB

Datenquellen: PubChem (NLM/NIH)
Zuletzt aktualisiert: 2026-09-21

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

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Summenformel · Molekulargewicht · LogP (Lipophilie) · IUPAC-Name · SMILES · InChIKey

WISSENSCHAFTLICHE FORSCHUNG

[1]PubMed2023

Galaxolide and Irgacure 369 are novel environmental androgens.

Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329

[2]PubMed2023

Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.

Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. h

[3]PubMed2023

Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.

Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.

[4]PubMed2022

Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.

Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and enviro

[5]PubMed2022

Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.

Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2

[6]PubMed2021

Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.

Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.

[7]PubMed2019

Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.

Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.sci

[8]PubMed2018

Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.

Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for th

📚 Wissenschaftliche Referenzen (Chicago Author-Date) 8 refs · 1 baz

MOLECULE Bibliografie pro CAS (live aus 13+ Datenbanken)

Quellen: db:pubmed (8)

db:pubmed Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329 →
db:pubmed Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2023.164139 →
db:pubmed Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.1016/j.reprotox.2023.108477 →
db:pubmed Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2021.113093 →
db:pubmed Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2022.135667 →
db:pubmed Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.1016/j.envres.2021.110960 →
db:pubmed Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2019.01.005 →
db:pubmed Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2018.09.075 →

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: 1222-05-5
Summenformel: C18H26O
Molmasse: 258.4 g/mol
IUPAC-Name (EN): 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
InChIKey: ONKNPOPIGWHAQC-UHFFFAOYSA-N

📡 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

Density: 1.005

Source: PubChem, NIST WebBook. Last updated: 2026-09-21

🔍 Externe IdentifikatorenMolGod_EXTID_1

12 von 16 ID-Systemen75%

Datenbank	Identifikator	Aktionen
CAS Registry Number	1222-05-5	Öffnen →
PubChem CID	91497^[1]	Öffnen →
InChIKey	ONKNPOPIGWHAQC-UHFFFAOYSA-N^[1]	Öffnen →
InChI	InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(1…^[1]
SMILES	CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C^[1]
EC Number	214-946-9^[2]	Öffnen →
ChEMBL	CHEMBL1883305^[3]	Öffnen →
HMDB	HMDB0244470	Öffnen →
ChemSpider	82618^[4]	Öffnen →
MeSH UID (NLM)	C033119	Öffnen →
UNII (FDA)	14170060AT	Öffnen →
WikiData QID	Q2268349	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) (3)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)

📡 Spektroskopie — CAS 1222-05-5MolGod_SPECHUB_MAIN

📊 Spektroskopische Spektrendatenbanken — Inline-Daten 9 Quellen MolGod_SPECDB_2

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📚 NIST Standard Reference Database 1A

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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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📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777

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📚 Japanese Pharmacopoeia 18th Edition (2021)

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Strukturelle EigenschaftenMolGod_STRUCT3D_1

Strukturdaten werden geladen...

❓ Häufig gestellte Fragen (3)MolGod_FAQ_1

What is 1222-05-5?

1222-05-5 (CAS 1222-05-5) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Hilfreich?

What is the CAS number of 1222-05-5?

The CAS number for 1222-05-5 is 1222-05-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Hilfreich?

How should 1222-05-5 be stored?

1222-05-5 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.

Hilfreich?

➕ Frage vorschlagen

Strukturdateien herunterladenMolGod_STRDL_1

Molekülstrukturdateien aus der PubChem-Datenbank (NIH). Kompatibel mit Avogadro, PyMOL, Jmol und ChemDraw.

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 Weitere Formate (PubChem)

Quelle: PubChem, National Library of Medicine (NIH). CID: 91497

🔄 Umrechner für Konzentrationseinheiten LIVE MolGod_UNITCONV_1

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

MW: 258.4 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

Ähnliche MolekülstrukturenMolGod_SIMSTR_1

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🧪 Assistent zur Lösungsvorbereitung WIZARD MolGod_PREP_1

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🛡️ Sicherheit — CAS 1222-05-5MolGod_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).

⚠ Achtung (Warning)

GHS09 Umweltgefahr

🚨 Gefahrenhinweise (H)

H400 — Sehr giftig für Wasserorganismen.
H410 — Sehr giftig für Wasserorganismen mit langfristiger Wirkung.

🛡 Sicherheitshinweise (P)

P273 — Freisetzung in die Umwelt vermeiden.
P203 — Vor Gebrauch alle Sicherheitshinweise einholen, lesen und befolgen.

✓ Harmonisierte Einstufung gemäß Anhang VI der CLP-Verordnung (EG) 1272/2008 (amtliche, verbindliche Einstufung). Indexnummer: 603-212-00-7.

Referenz (Chicago): European Chemicals Agency. "1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylindeno[5,6-c]pyran; galaxolide; (HHCB), Index No. 603-212-00-7." 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.

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

♻️ Entsorgung chemischer Abfälle Umweltgefährdend

📋 EWC-Code (Europäischer Abfallkatalog):
16 05 06* Labor- und Analysechemikalien (Reagenzien) mit gefährlichen Stoffen

Ein Code mit Sternchen (*) = gefährlicher Abfall, der eine BDO-Registrierung + ein Transportprotokoll (Abfallübergabeschein) erfordert.

🌍 Umweltgefährdung: JA

💧 Risiko der Wasserkontamination: JA

🌱 Risiko der Bodenkontamination: JA

🚫 NICHT in die Kanalisation: JA

⚠️ Large spill — HAZMAT response: JA

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

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. Decyzja 2014/955/UE. [link ↗] — European List of Waste (LoW) — 6-stellige EWC-Codes + Sternchen für gefährlich
Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów. Dziennik Ustaw RP 2020 poz. 10. [link ↗] — Polnischer Abfallkatalog — Umsetzung der Entscheidung 2014/955/EU
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Zentrales BDO-Register — vollständige Liste der zur Abfallwirtschaft befugten Unternehmen
Poland — Sejm of the Republic of Poland. 2012. Act of 14 December 2012 on waste. Journal of Laws (Dz.U.) 2013 item 21 (as amended). [link ↗] — Nationales Gesetz — definiert die Pflichten des Abfallerzeugers + Registrierung in der polnischen Abfalldatenbank (BDO)
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Klassifizierung von Laborabfällen + Trennverfahren (Kapitel Waste Management); EN 374:2013 Handschuhstandards für Personen, die mit gefährlichen Abfällen umgehen.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Abfallklassifizierung pro CAS + Unverträglichkeiten — Eingabe für das EWC-Mapping.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reaktivität + Lagerverträglichkeit von Abfällen (Oxidationsmittel vs. brennbare Stoffe — getrennte Ströme).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH pro CAS — Grundlage für die beim Abfalltransport erforderliche PSA (KPO — Abfallübergabeschein).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — Schulungen + PSA für den Umgang mit gefährlichen Abfällen.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Abfallhierarchie (Vermeidung → Verwertung → Beseitigung); definiert "gefährlichen Abfall".
European Parliament and Council. 2009. Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures. Official Journal of the European Union L 353. [link ↗] — CLP-Klassifizierung von H-Sätzen → Mapping auf EWC * (Sternchen = gefährlich).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — Anforderungen an den Transport gefährlicher Abfälle (KPO — Abfallübergabeschein + UN-Nummer + Klassen 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — Internationale Leitlinien zur Neutralisation + Entsorgung pro CAS.
European Parliament and Council. 2006. Regulation (EC) No 1013/2006 on Shipments of Waste. Official Journal of the European Union L 190: 1–98. [link ↗] — Grenzüberschreitende Verbringung gefährlicher Abfälle — Notifizierungs- + Zustimmungspflichten vor dem Export

📋 Regulatorische Konformität (Compliance-Checkliste) Umweltgefährdend 1 erforderlich 7 Positionen

ℹ️ Checkliste der regulatorischen Pflichten für CAS 1222-05-5. Status basierend auf: ADR 2025 (Tabelle A), REACH Anhang XVII, CLP Anhang VI (harmonisierte Einstufung), Gefahrenklasse aus der m14-spill-DB, SVHC, GIS und der polnischen NDS-Liste. Grundsatz: keine Daten = keine Aussage (wir erklären NICHT "keine Beschränkungen" ohne Grundlage).

✅ SDS (Sicherheitsdatenblatt) verfügbar erfüllt

So gewährleisten Sie die Konformität: Anforderung: aktuelles SDB gemäß Verordnung 1907/2006 (REACH) Anhang II, 16-Abschnitte-Format.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
📎 Quelle / Formular ↗
▣ Konformes CLP-Etikett (Piktogramme + Signalwort + H/P) erforderlich

So gewährleisten Sie die Konformität: Das Etikett muss enthalten: GHS-Piktogramme, das Signalwort (Gefahr/Achtung), H-Sätze (Gefahrenhinweise) und P-Sätze (Sicherheitshinweise), Herstellerangaben. Erforderlich seit 2010 (Stoffe) und 2015 (Gemische). Für diese Substanz gilt eine HARMONISIERTE EINSTUFUNG (CLP Anhang VI) — siehe unten; sie hat Vorrang vor der Selbsteinstufung.

Rechtsgrundlage: Regulation (EC) 1272/2008 (CLP) Art. 17-33 + Annex VI (harmonised classification)

Harmonisierte Einstufung (CLP Anhang VI): Aquatic Acute 1, Aquatic Chronic 1 — H400, H410 · Index 603-212-00-7
📎 Quelle / Formular ↗
❓ ADR-Transport (internationales Übereinkommen) zu überprüfen

So gewährleisten Sie die Konformität: Keine ADR-Daten im MOL-GOD-Datensatz für diese CAS-Nummer. Nehmen Sie NICHT an, dass keine Beschränkungen bestehen — überprüfen Sie vor dem Versand die Transporteinstufung in ADR 2025 (Tabelle A) und in Abschnitt 14 des Sicherheitsdatenblatts (SDS).

Rechtsgrundlage: European Agreement ADR 2025 + Act of 19 August 2011 on the transport of dangerous goods
📎 Quelle / Formular ↗
🔵 REACH-Registrierung (>1 t/Jahr EU-Import) bedingt

So gewährleisten Sie die Konformität: Importeure/Hersteller ab ≥1 Tonne/Jahr müssen die Substanz bei der ECHA registrieren (technisches Dossier + Chemical Safety Report bei ≥10 t). Prüfen Sie die ECHA Annex VI / registered substances list.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Art. 5-22
📎 Quelle / Formular ↗
❓ SVHC-Meldung (besonders besorgniserregende Stoffe) zu überprüfen

So gewährleisten Sie die Konformität: SVHC-Status anhand des verfügbaren Datenbestands nicht überprüft — die aktuelle ECHA-Kandidatenliste prüfen; das Fehlen eines Eintrags nicht voraussetzen.

Rechtsgrundlage: REACH Art. 7(2) + 33 — SVHC notification + communication
📎 Quelle / Formular ↗
❓ REACH Anhang XIV (Zulassungsliste) zu überprüfen

So gewährleisten Sie die Konformität: Nicht gegen die ECHA-Zulassungsliste verifiziert — REACH Anhang XIV prüfen.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Annex XIV — authorisation
📎 Quelle / Formular ↗
⚪ REACH Anhang XVII (Verwendungs-/Vermarktungsbeschränkungen) nicht zutreffend

So gewährleisten Sie die Konformität: Zweryfikowano wobec klasyfikacji zharmonizowanej (CLP Załącznik VI): substancja NIE ma klasyfikacji CMR kat. 1A/1B, więc NIE podlega ogólnemu zakazowi sprzedaży ogółowi społeczeństwa z poz. 28–30 Załącznika XVII. UWAGA: szczegółowe (nie-CMR) pozycje Załącznika XVII nie są objęte zbiorem MOL-GOD (zbiór niepełny) — przy wątpliwości sprawdź skonsolidowany Załącznik XVII na stronach ECHA.

Rechtsgrundlage: Regulation (EC) 1907/2006 (REACH) Annex XVII — restrictions on manufacture/placing on the market/use
📎 Quelle / Formular ↗

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

European Parliament and Council. 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. CLP Regulation 1272/2008. [link ↗] — Einstufung, Kennzeichnung und Verpackung von Stoffen + Gemischen (GHS-Umsetzung in der EU)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — Registrierung, Bewertung und Zulassung von Chemikalien; SVHC; SDS Anhang II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. [link ↗] — NDS und NDSCh für ~600 chemische Substanzen — aktuelle polnische Arbeitsplatzgrenzwerte
United Nations Economic Commission for Europe (UNECE). 2025. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — Internationales Übereinkommen über den Straßentransport gefährlicher Güter — UN-Nummern, Klassen, Verpackungen

📚 Konsolidierte wissenschaftliche Referenzen — Chicago Author-Date 10 Quellen

Referenzen aus allen Safety-Hub-Registerkarten gesammelt. CAS: 1222-05-5 · 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.

📈 Analytische Statistik (t-Test · RSD · Grubbs · Q-Dixon) ICH Q2

Fügen Sie eine Serie von Messwiederholungen ein (CSV oder eine Zahl pro Zeile). Der Rechner berechnet Mittelwert, Standardabweichung und 95% CI und erkennt Ausreißer (Grubbs + Dixon Q).

Messergebnisse:

Trennzeichen: Komma, Leerzeichen, Tab, Zeilenumbruch. Min. 3 Messungen.

📐 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

Quelle: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Puffer-Rezept-Rechner EINZIGARTIG

Wählen Sie einen Puffer aus der Liste von 20 gängigen Systemen → geben Sie den Ziel-pH-Wert ein → Sie erhalten ein exaktes Rezept mit den einzuwiegenden Massen.

Schritt 1: Puffersystem wählen

📜 Rezeptverlauf (letzte 10)

Pharmakologischer Status

Prekliniczny

Phase I

Phase II

Phase III

Zugelassen

Präklinisch — keine Daten aus Studien am Menschen.

ChEMBL CHEMBL1883305 ↗

Bibliografie (erweitert) (3)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)

📅 Project Planner — Manager für Laborexperimente NEU

Planen Sie Ihr gesamtes Laborprojekt: Fügen Sie Experimente mit Reagenzien, Wiederholungen und Dauer hinzu. Sie erhalten ein Gantt-Diagramm, eine Einkaufsliste (mit Links zum Shop!), ein Budget mit 10% Reserve und eine GHS-Risikomatrix.

🧪 Löslichkeit und Lösungsmittelkompatibilität MolGod_SOLUB_1

Molekül

Galaxolide

Formel

C18H26O

logP (XLogP3)

4.80

Masse (g/mol)

258.4

Polarität

Hydrophob (unpolar)

⚠️ GC-Schätzung (Hoftyzer–Van Krevelen). Keine HSP-Literaturdaten für diese CAS — Genauigkeit ±2 MPa½. Experimentell verifizieren.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

Lösungsmittel	Compat.	Ra	Visuell	GC-MS	HPLC	Anwendungen	Referenzen
Water (H₂O)	0.002 g/L (pomiar)	—		✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	—	—	brak podstawy	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	—	—	brak podstawy	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	—	—	brak podstawy	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	—	—	brak podstawy	✗ 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	—	—	brak podstawy	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	—	—	brak podstawy	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	—	—	brak podstawy	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	—	—	brak podstawy	✓ 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	—	—	brak podstawy	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	—	—	brak podstawy	✓ 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 1222-05-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

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

⚗️ Reaktionskompatibilität prüfen MolGod_RXNCOMP_1

Gesundheit: 0/4

Entflammbarkeit: 0/4

Reaktivität: 0/4

Gemäß NFPA 704 / berechnet aus H-Sätzen

Prüfen Sie, ob Galaxolide 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✓ REOS✗ Lead-like Ro3 (LogP=4.8)

Eigenschaft	Wert	Bewertung
Resorption (GI)	hoch	✓
BHS-Permeabilität	nein
Bioverfügbarkeit (Daina 2017)	55%
CYP450-Profil	CYP1A2 non-inhibitorCYP2C9 inhibitorCYP2C19 inhibitorCYP2D6 non-inhibitorCYP3A4 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.
Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329
Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2023.164139
Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.1016/j.reprotox.2023.108477
Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2021.113093
Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2022.135667
Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.1016/j.envres.2021.110960
Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2019.01.005
Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2018.09.075
Yun Li, Jianv Liu, Xiaoting Feng, et al. 2025. "Reveal resistance mechanisms of Mirabilis jalapa L. when exposed to galaxolide and polystyrene microplastics stress, from individual, cellular and molecular level." Plant physiology and biochemistry : PPB. DOI: 10.1016/j.plaphy.2025.109803. PMID: 40199163. [DOI ↗]
Aneta Sokół, Joanna Karpińska. 2025. "Enhanced Phytoremediation of Galaxolide Using Lemna minor: Mechanisms, Efficiency, and Environmental Implications." International Journal of Molecular Sciences. DOI: 10.3390/ijms26146636. PMID: 40724886. [DOI ↗]
Ding T, Wei L, Yue Z et al. 2023. "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp." The Science of the total environment. DOI: 10.1016/j.scitotenv.2023.164139. [DOI ↗]
Zhang Q, Wang J, Lyu H et al. 2019. "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms." The Science of the total environment. DOI: 10.1016/j.scitotenv.2019.01.005. [DOI ↗]
Belén Salvatierra, A. Pérez-Parada, J. Gómez, et al. 2025. "Incidence Study of Two UV Filters (Octocrylene and Octinoxate) and the Synthetic Fragrance Galaxolide in Commercial Yellow Clam (Amarilladesma mactroides)." Brazilian Journal of Analytical Chemistry. DOI: 10.30744/brjac.2179-3425.ar-55-2025. [DOI ↗]
Wael Obaid, M. Madany, Moayad S. Waznah, et al. 2024. "Modulation of plant carbon and nitrogen metabolism by novel actinobacteria Rhodospirillum sp. to combat galaxolide toxicity in barley and maize plants." Plant physiology and biochemistry : PPB. DOI: 10.1016/j.plaphy.2024.109403. PMID: 39884151. [DOI ↗]
Ming-Zhu Wang, Yu-Fang Xiao, Yun Li, et al. 2023. "Optimistic effects of galaxolide and polystyrene microplastic stress on the physio-biochemical characteristics and metabolic profiles of an ornamental plant." Plant physiology and biochemistry : PPB. DOI: 10.1016/j.plaphy.2023.01.062. PMID: 36739842. [DOI ↗]
B. Otludil, B. Otludil. 2025. "Single and Combined Impact of Environmental Concentrations of Galaxolide (HHCB) and Tonalide (AHTN) on Melanopsis praemorsa: Evaluating Genotoxicity and Stress Response Mechanisms." Journal of Applied Toxicology. DOI: 10.1002/jat.4918. PMID: 40903009. [DOI ↗]
Trabalón L, Alves RN, Castro Ó et al. 2018. "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH." Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. DOI: 10.1016/j.fct.2018.09.075. [DOI ↗]
Li, Kunting; Chen, Chuanyang; Wang, Dali; et al. 2026. "Comparative toxicity and molecular recognition of galaxolide and its phototransformation product galaxolide lactone in <i>Daphnia magna</i>." Environmental Science: Processes & Impacts. DOI: 10.1039/d6em00059b. [DOI ↗]
Li, Mingzhao; Wang, Ren; Wang, Pan. 2023. "Galaxolide and Irgacure 369 are novel environmental androgens." Chemosphere. DOI: 10.1016/j.chemosphere.2023.138329. [DOI ↗]
Dörrich, Steffen; Bauer, Jennifer B.; Lorenzen, Sabine; et al. 2013. "Disila‐Galaxolide and Derivatives: Synthesis and Olfactory Characterization of Silicon‐Containing Derivatives of the Musk Odorant Galaxolide." Chemistry – A European Journal. DOI: 10.1002/chem.201300982. [DOI ↗]
"Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere." DOI: 10.1021/acs.jpca.8b07456.s001. [DOI ↗]
"Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin." DOI: 10.1021/acsestwater.4c00498.s001. [DOI ↗]
"Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm." DOI: 10.1021/acs.est.8b02637.s001. [DOI ↗]
Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. [DOI ↗]
Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. [DOI ↗]
Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. [DOI ↗]
Hatice Turan, Mathieu Sebilo, G. Imfeld, et al. 2025. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin." ACS ES&T Water. DOI: 10.1021/acsestwater.4c00498. [DOI ↗]
Li M, Wang R, Wang P. 2023. "Galaxolide and Irgacure 369 are novel environmental androgens." Chemosphere. DOI: 10.1016/j.chemosphere.2023.138329. [DOI ↗]
Li M, Wang P. 2023. "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system." Reproductive toxicology (Elmsford, N.Y.). DOI: 10.1016/j.reprotox.2023.108477. [DOI ↗]
Li W, Wang L, Wang X et al. 2022. "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment." Ecotoxicology and environmental safety. DOI: 10.1016/j.ecoenv.2021.113093. [DOI ↗]
Ding T, Wei L, Hou Z et al. 2022. "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid." Chemosphere. DOI: 10.1016/j.chemosphere.2022.135667. [DOI ↗]
Yanrong Su, Fa-Xu Li, Xiangxiang Xiao, et al. 2023. "Ecological risk of galaxolide and its transformation product galaxolidone: evidence from the literature and a case study in Guangzhou waterways." Environmental science. Processes & impacts. DOI: 10.1039/d3em00139c. PMID: 37387310. [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 ↗]
Minghao Gao, Jianv Liu, Xiaoting Feng, et al. 2025. "Calendula officinalis L. Tolerance Response to Polystyrene Microplastics and Galaxolide by Seed Germination, as an Ornamental Plant." Journal of Plant Growth Regulation. DOI: 10.1007/s00344-025-11882-6. [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 ↗]
2011. "Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery." Science. DOI: 10.1126/science.1211936. PMID: 22096101. [ChEMBL bioactivity primary lit] [DOI ↗]
2008. "In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen." Proc Natl Acad Sci U S A. DOI: 10.1073/pnas.0802982105. PMID: 18579783. [ChEMBL bioactivity primary lit] [DOI ↗]
PubMed PMID PubChem. (Metadata fetch failed.) ↗
Jiaqi Wang, Fan Wu, Xu-Sheng Wang, et al. 2025. "From microbiota to metabolism: Unveiling the hidden ecological threat of galaxolide (HHCB) to zebrafish through aquatic microcosm." Environment international. DOI: 10.1016/j.envint.2025.109683. PMID: 40683239. [DOI ↗]
Ehiguese FO, Rodgers ML, Araújo CVM et al. 2021. "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups." Environmental research. DOI: 10.1016/j.envres.2021.110960. [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.
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Patent AU-1131600-A. Indexed in PubChem CID 91497. ↗
Patent AU-1760100-A. Indexed in PubChem CID 91497. ↗
Patent AU-1974297-A. Indexed in PubChem CID 91497. ↗
Patent AU-2001251290-B2. Indexed in PubChem CID 91497. ↗
Patent AU-2001261403-B2. Indexed in PubChem CID 91497. ↗
Patent AU-2001268214-B2. Indexed in PubChem CID 91497. ↗
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Patent AU-2003221851-A1. Indexed in PubChem CID 91497. ↗
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. ↗
Mohsen A. Hedaya. 2003. "Basic Pharmacokinetics." mohsen A. hedaya. ↗

🧪 Assistent zur Lösungsherstellung (Smart Prep) MolGod_PREP_2

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

Beispiele unten — zum Einfügen anklicken:

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📚 Überblick über die wissenschaftliche Literatur — CAS 1222-05-5MolGod_LITHUB_MAIN

⭐ Wichtigste Erkenntnisse (wissenschaftliche Literatur) 8 Publikationen

🏆 CAS 1222-05-5 — multi-criteria ranking (W12): 30% Zitierungen · 20% Aktualität · 20% Thema · 15% historisch · 15% Open Access.

#1

Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.

Li W, Wang L, Wang X et al. (2022) · Ecotoxicology and environmental safety

Warum es wichtig ist: Open access

SCORE 5.85 Mechanismus Open Access DOI ↗ PubMed ↗
#2

Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.

Ehiguese FO, Rodgers ML, Araújo CVM et al. (2021) · Environmental research

Warum es wichtig ist: Open access

SCORE 5.55 Mechanismus Open Access DOI ↗ PubMed ↗
#3

Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.

Ding T, Wei L, Yue Z et al. (2023) · The Science of the total environment

Warum es wichtig ist: Aktuell (2023)

SCORE 3.9 Pharmakologie DOI ↗ PubMed ↗
#4

Galaxolide and Irgacure 369 are novel environmental androgens.

Li M, Wang R, Wang P (2023) · Chemosphere

Warum es wichtig ist: Aktuell (2023)

SCORE 3.9 Mechanismus DOI ↗ PubMed ↗
#5

Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.

Li M, Wang P (2023) · Reproductive toxicology (Elmsford, N.Y.)

Warum es wichtig ist: Aktuell (2023)

SCORE 3.9 Mechanismus DOI ↗ PubMed ↗
#6

Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.

Ding T, Wei L, Hou Z et al. (2022) · Chemosphere

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

SCORE 3.6 Mechanismus DOI ↗ PubMed ↗
#7

Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.

Zhang Q, Wang J, Lyu H et al. (2019) · The Science of the total environment

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

SCORE 3.5 Mechanismus DOI ↗ PubMed ↗
#8

Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.

Trabalón L, Alves RN, Castro Ó et al. (2018) · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

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

SCORE 2.4 Mechanismus DOI ↗ PubMed ↗

Tag	TF	DF	IDF	Score
tonalide	2	2	2.099	4.197
assessment	2	2	2.099	4.197
euglena	2	2	2.099	4.197
triclosan	2	2	2.099	4.197
irgacure	2	2	2.099	4.197
environmental	2	2	2.099	4.197

🔬 HPLC — Methoden und Parameter — CAS 1222-05-5MolGod_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: 4.8 (PubChem XLogP3)
Rampe: 43% → 95% B, 25 min
Gesamtanalysenzeit: 38 min

t (min)	%A	%B	flow (mL/min)	Kommentar
0	57	43	1	Start (Gleichgewicht)
2	57	43	1	Ende der Anfangshaltezeit
27	5	95	1	Ende der LSS-Rampe
32	5	95	1	Säulenspülung
33	57	43	1	Rückkehr zu init
38	57	43	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/1222-05-5

📐 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/1222-05-5

🧪 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 1222-05-5) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

13.2 min

Range: 9.24 – 17.16

confidence: medium

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

= 1.935 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

10 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

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?

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

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

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

Dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (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=258.4, CAS 1222-05-5) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

2. Gradientenoptimierung Timeline, slope, retention control

Gradient Problem From The Lab

Transfer metody z HPLC na UHPLC

Your HPLC 4.6×250mm 5μm method works. You have to make a UHPLC version 2.1×50mm 1.7μm. How to scale it (Neue/Jorgenson)?

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

Jakie Rt przewidywane dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (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

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

3. Säulenauswahl C18, particle size, dimensions

Column Choice Dilemma

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?

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

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

Dla MW=258.4 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analyty MW10000 (białka) → pore 1000 Å. Dla MW=258.4 (CAS 1222-05-5) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

4. Detektionseinstellungen UV wavelength, bandwidth, response

Detection Gotcha

Why am I not seeing any peaks?

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

Lesson learned (Student MSc, UW, 2024-10):
Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

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

High-throughput screening 100+ samples/day

Lab QC — 100 samples a day. 23 min per sample = 38h (impossible). You need a fast method <5 min + column switcher.

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

Spec limits for 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (CAS 1222-05-5) 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

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

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

6. Probenvorbereitung Dilution, filtration, storage

Prep Mistakes That Ruined The Run

Your First HPLC Analysis Ever

Jesteś na 2. roku chemii. Professor powiedział: "Przeanalizuj tę próbkę kwasu benzoesowego". Nigdy nie używałaś HPLC. W labie stoi Agilent 1260, ale nikt nie wie jak go włączyć.

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.

Peak tailing ruined my results

Anna K., PhD student, Warszawa 2024-03 Poziom 3/5

Was ist passiert:

I ran the method exactly as written. Main peak Tf = 2.8 (should be <1.5). Integration impossible. I repeated it 6× — always tailing.

💡 Lekcja:

Causes: (1) buffer pH 8.2 instead of 7.0, (2) 2-month-old buffer (bacteria!), (3) C8 column instead of C18. Fix: fresh buffer pH 7.0 + switch to C18 → Tf 1.2, Rs 1.9→2.3.

Method transfer from Warsaw to Krakow failed

R&D team, 2 sites 2025-09-18 Poziom 5/5

Was ist passiert:

At first we ran it in the Warsaw lab. Transfer to Kraków: every Rt shifted +0.8 min, Rs borderline at 1.9-2.1. Investigation: buffers from different manufacturers (Merck vs Sigma-Aldrich) differed by 0.2 in pH. 6 weeks of transfer revalidation.

💡 Lekcja:

Transfer requires a SPEC for the buffer (manufacturer, grade, LOT). Not just „NH4HCO3 10 mM pH 7.0". Run a preliminary system suitability on the new instrument before the full transfer.

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 1222-05-5). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

Propylene glycol monomethyl ether acetate (PMA)

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2-Ethylhexanoic Acid

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Ethylene glycol diacetate

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Propyl Acetate

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📄 Analysenzertifikate (CoA) CAS 1222-05-5 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

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📜 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. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001.
Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001.
Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001.
Li M, Wang R, Wang P. (2023). "Galaxolide and Irgacure 369 are novel environmental androgens.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.138329
Ding T, Wei L, Yue Z et al.. (2023). "Individual and combined toxicity of silver nanoparticles and triclosan or galaxolide in the freshwater algae Euglena sp.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2023.164139
Li M, Wang P. (2023). "Adverse effect of environmental androgenic compounds Galaxolide and Irgacure 369 on the male reproductive system.". Reproductive toxicology (Elmsford, N.Y.). https://doi.org/10.1016/j.reprotox.2023.108477
Li W, Wang L, Wang X et al.. (2022). "Derivation of predicted no effect concentration and ecological risk assessment of polycyclic musks tonalide and galaxolide in sediment.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2021.113093
Ding T, Wei L, Hou Z et al.. (2022). "Biological responses of alga Euglena gracilis to triclosan and galaxolide and the regulation of humic acid.". Chemosphere. https://doi.org/10.1016/j.chemosphere.2022.135667
Ehiguese FO, Rodgers ML, Araújo CVM et al.. (2021). "Galaxolide and tonalide modulate neuroendocrine activity in marine species from two taxonomic groups.". Environmental research. https://doi.org/10.1016/j.envres.2021.110960
Zhang Q, Wang J, Lyu H et al.. (2019). "Ball-milled biochar for galaxolide removal: Sorption performance and governing mechanisms.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2019.01.005
Trabalón L, Alves RN, Castro Ó et al.. (2018). "Preliminary assessment of galaxolide bioaccessibility in raw and cooked FISH.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2018.09.075
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/1222-05-5?status=active&limit=10

Bibliografie (erweitert) (3)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Theoretical and Kinetic Properties of OH Radical-Initiated Oxidation of Galaxolide in the Atmosphere.". https://doi.org/10.1021/acs.jpca.8b07456.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Potential of Compound-Specific Isotope Analysis (CSIA) to Trace Galaxolide Reactivity and Origin.". https://doi.org/10.1021/acsestwater.4c00498.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Bioaccumulation and Biotransformation of Triclosan and Galaxolide in the Freshwater Oligochaete Limnodrilus hoffmeisteri in a Water/Sediment Microcosm.". https://doi.org/10.1021/acs.est.8b02637.s001. Link [abgerufen: 2026-09-23] CC0 (metadata)

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📚 REFERENZEN (Gesammelte Bibliografie, Chicago Author-Date) 121 Einträge

Alle wissenschaftlichen Quellen, die in den Akkordeons oben für CAS 1222-05-5 zitiert werden.Format: Chicago Manual of Style, 17. Aufl., Autor-Datum-System.

🗄️ Wissenschaftliche Datenbanken

NIST. n.d. NIST Chemistry WebBook: CAS 1222-05-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=1222-05-5.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 1222-05-5. 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 1222-05-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=1222-05-5.

📐 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.

📄 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.

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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.
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ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
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LC₅₀ (Fische):	`0.491 mg/L (Misgurnus anguillicaudatus, 96 h)`
EC₅₀ (Daphnia):	`2.68 mg/L (Daphnia magna, 48 h)`
EC₅₀ (Algen):	`0.41 mg/L (Raphidocelis subcapitata, 72 h)`
ED — organizmy wodne (sek. 12.7):	`Thyroxine (Danio rerio) [https://doi.org/10.1016/j.chemosphere.2023.138273] — source: US EPA ECOTOX (evidence of effect, not a regulatory ED classification).`

Musk Pure

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Technical reading on Musk Pure

Galaxolide as a raw material: form, carrier, documents

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IR — Fourier-Transform-Infrarot

MS — Massenspektrometrie (EI 70eV)

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⚠️ Harmonisierte CLP-Klassifizierung (ECHA Anhang VI)

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

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