Manufacturer since 2009 · Tongling, Anhui ISO certified Licensed for hazardous & precursor chemicals
[email protected] · +86 186 5620 1888
Eapearl Chemical

Butyl glycol

EGBE

CAS 111-76-2 EC 203-905-0 C6H14O2 Ether SDS published CLP Danger

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

MolGod_SDSCARD_1
REACH 2020/878
v2 · 08.09.2026

Specification

Product NameButyl glycol
Other NamesEGBE
CAS No.111-76-2
EINECS No.203-905-0
MFC6H14O2
Molecular weight118.174
Purity99.0%
AppearanceColorless flammable liquid
Density0.902 g/cm³
Melting point-70 °C
Boiling point171 °C
Flashing point60 °C

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

Hazard classification

GHS pictogram GHS06 — Acute toxicity

Danger

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

  • H331 Toxic if inhaled
  • H302 Harmful if swallowed
  • H315 Causes skin irritation
  • H319 Causes serious eye irritation

European Chemicals Agency. "2-butoxyethanol; ethylene glycol monobutyl ether, Index No. 603-014-00-0." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

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

Packaging and shipping

Drum225 kg
IBC Drum1127 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Butyl glycol
Butyl glycol
Butyl glycol
Butyl glycol
Butyl glycol

Butyl Glycol (Ethylene Glycol Monobutyl Ether, EGBE) is a versatile glycol ether solvent widely used across industries such as coatings, inks, cleaning agents, agrochemicals, and specialty chemicals. From a procurement perspective, it is valued for its excellent solvency, strong coupling capability between water and oil phases, and stable chemical properties.
It features a balanced molecular structure with both hydrophilic and hydrophobic components, enabling effective dissolution of resins, oils, greases, and organic compounds. With a moderate evaporation rate and good compatibility in both aqueous and solvent-based systems, Butyl Glycol is particularly suitable for applications requiring controlled drying, improved flow, and consistent formulation performance.

Butyl Glycol (EGBE) High-Performance Coupling Solvent for Coatings, Cleaners & Industrial ApplicationsButyl Glycol (EGBE) High-Performance Coupling Solvent for Coatings, Cleaners & Industrial ApplicationsButyl Glycol (EGBE) High-Performance Coupling Solvent for Coatings, Cleaners & Industrial Applications

Butyl Glycol (EGBE) High-Performance Coupling Solvent for Coatings, Cleaners & Industrial Applications

Product Description

Anhui Eapearl Chemical Co., Ltd., as a leading professional manufacturer and solution provider of alcohol ether solvents in China, leverages advanced production technology, stringent quality control systems, and a fully integrated supply chain to supply the global market with high-performance Butyl Glycol (Ethylene Glycol Monobutyl Ether, EGBE). We are committed to positioning this versatile and highly efficient solvent as a key enabling material for customers across coatings, inks, cleaning, agrochemicals, and specialty chemicals industries, supporting continuous product innovation and process optimization.

Product Core Positioning 

Butyl Glycol (Ethylene Glycol Monobutyl Ether) is one of the most widely used members of the glycol ether family. It is a medium-boiling, low-volatility solvent with excellent balance between hydrophilic and lipophilic properties. Its molecular structure, combining a hydrophilic ethylene oxide chain and a hydrophobic butyl group, enables it to function as an efficient “bridging solvent,” facilitating compatibility between water-based and oil-based systems.

With a boiling point of approximately 171°C, moderate evaporation rate, and strong solvency, Butyl Glycol demonstrates excellent performance in dissolving resins, oils, greases, dyes, and various organic compounds. It is particularly suitable for applications requiring controlled evaporation, good flow, and enhanced surface interaction.

Core application value and solutions

Butyl Glycol is widely used in water-based and solvent-based coatings as a coalescing agent and flow improver. It effectively enhances film formation by extending the open time, improving leveling, and reducing surface defects such as pinholes and brush marks. In architectural coatings, industrial paints, and printing inks, it contributes to improved gloss, uniformity, and overall finish quality. Its balanced evaporation rate ensures optimal drying performance without compromising film integrity.

Industrial and household cleaning (efficient degreasing solution):

With strong solvency for oils, greases, and organic contaminants, Butyl Glycol is a key component in industrial cleaners, degreasers, and household cleaning formulations. It effectively removes heavy dirt, carbon residues, and processing oils while maintaining compatibility with water-based systems. Its moderate evaporation rate allows sufficient contact time for enhanced cleaning efficiency, making it suitable for hard surface cleaning, metal treatment, and maintenance applications.

Agrochemical formulations (enhanced delivery performance):

As a solvent and penetration enhancer, Butyl Glycol improves the solubility of active ingredients in pesticide formulations. It enhances spreading, adhesion, and absorption on plant surfaces, thereby increasing bioavailability and overall effectiveness. Its compatibility with various formulation systems supports stable and efficient agrochemical products.

Specialty chemicals and industrial processing:

Butyl Glycol is extensively used as a solvent and intermediate in the production of resins, plasticizers, and chemical formulations. It also serves as a component in brake fluids, textile auxiliaries, and metalworking fluids, where its solvency and stability contribute to improved processing performance and product consistency.

Consumer chemicals:

In household and personal care formulations, Butyl Glycol acts as a coupling agent to stabilize mixtures of water and hydrophobic ingredients such as fragrances and essential oils. It enhances formulation clarity, stability, and user experience in products such as cleaners, polishes, and surface care solutions.

Anhui Eapearl Chemical Co., Ltd., with a series of high-performance alcohol ether solvents represented by diethylene glycol monobutyl ether (butyl carbitol), has always been committed to providing outstanding products, professional services, and reliable supply to become the most trustworthy partner for customers on their pursuit of process excellence and product innovation. We look forward to working with you to create higher value.

Butyl Glycol (EGBE) High-Performance Coupling Solvent for Coatings, Cleaners & Industrial Applications

Butyl Glycol (EGBE) High-Performance Coupling Solvent for Coatings, Cleaners & Industrial Applications

Delivery&Payment method

Butyl Glycol (EGBE) High-Performance Coupling Solvent for Coatings, Cleaners & Industrial Applications

Frequently asked

In what packaging is Butyl glycol shipped?

Standard formats are Drum (225 kg), IBC Drum (1127 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 Butyl glycol?

Yes. A full safety data sheet for CAS 111-76-2 is published and linked from this page; a signed copy is issued with the shipping documents.

What purity do you supply?

The standard grade is 99.0%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Butyl glycol

Related products

🧬 Wizualizator molekuły 3D
Ładowanie molekuły...
Model 3D 2-Butoxyethanol, CAS 111-76-2, wzór sumaryczny C6H14O2, masa molowa 118.17 g/mol

Dane transkrybowane z rejestrów regulacyjnych i literatury fachowej, z podaniem źródła i wydania. Nie zastępują karty charakterystyki dostawcy. Pola bez zapisanego źródła oznaczone jako takie.

📊 Dane fizykochemiczne — CAS 111-76-2MolGod_PROPHUB_MAIN
📊 Właściwości fizykochemiczne

Szybki przegląd

Wzór: C6H14O2
MW: 118.17 g/mol
CAS: 111-76-2
Wygląd: Bezbarwna ciecz
Zapach: Mild, ether-like odor

Właściwości szczegółowe

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

Właściwość Wartość Jednostka Warunki Źródło
Density (ρ) 0.902 at 20 °C (USCG, 1999) - Less dense than water; will float[1] CAMEO Chemicals ↗
Temperatura topnienia (mp) -70 °C (NTP, 1992) CAMEO Chemicals ↗
Temperatura wrzenia (bp) 171.1 °C at 743 mmHg (NTP, 1992) CAMEO Chemicals ↗
Temperatura zapłonu 60.6 °C (NTP, 1992) CAMEO Chemicals ↗
Prężność par 0.76 mmHg at 20 °C ; 0.88 mmHg at 25 °C; 300 mmHg at 140 °C (NTP, 1992)[1] CAMEO Chemicals ↗
Rozpuszczalność w wodzie greater than or equal to 100 mg/mL at 22.2 °C (NTP, 1992) CAMEO Chemicals ↗
Lepkość (η) 3.15 centistokes at 25 °C[2] Hazardous Substances Data Bank (HSDB) ↗
Współczynnik załamania światła (nD) Index of refraction: 1.4198 at 20 °C/D[1][2] Hazardous Substances Data Bank (HSDB) ↗
🔬 Właściwości zaawansowane

Identyfikatory chemiczne

SMILES: CCCCOCCO
InChI: InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKey: POAOYUHQDCAZBD-UHFFFAOYSA-N

Data sources: CAMEO Chemicals, Hazardous Substances Data Bank (HSDB)

Ostatnia aktualizacja: niepotwierdzona

📚 Naukowe referencje (Chicago Author-Date) (2 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: Density (ρ) · Prężność par · Współczynnik załamania światła (nD)
  2. NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. dotyczy: Lepkość (η) · Współczynnik załamania światła (nD)
Przegląd chemiczny: 2-ButoxyethanolMolGod_OVERVIEW_1
Wzór sumarycznyC6H14O2[1]
Masa cząsteczkowa118.17 g/mol[1]
LogP (lipofilowość)0.8[1]
Nazwa IUPAC2-butoxyethanol[1]
SMILESCCCCOCCO[1]
InChIKeyPOAOYUHQDCAZBD-UHFFFAOYSA-N[1]

Synonimy: 2-Butoxyethanol · 111-76-2 · Butyl glycol · Butyl cellosolve · Butoxyethanol

Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-03

📚 Naukowe referencje (Chicago Author-Date) (1 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: Wzór sumaryczny · Masa cząsteczkowa · LogP (lipofilowość) · Nazwa IUPAC · SMILES · InChIKey

BADANIA NAUKOWE

[1]PubMed2021
Shi X, Miao Y, Zhang K et al.. (2021). "Ethylene glycol butyl ether deteriorates oocyte quality via impairing mitochondrial function.". FASEB journal : official publication of the Federation of Americ
[2]PubMed2020
Woiski C, Dobslaw D, Engesser KH. (2020). "Isolation and characterization of 2-butoxyethanol degrading bacterial strains.". Biodegradation. https://doi.org/10.1007/s10532-020-09900-3
[3]PubMed2020
Banaee S, Hee SSQ. (2020). "Permeation of ethoxy- and butoxy-ethanols through a disposable nitrile glove.". Industrial health. https://doi.org/10.2486/indhealth.2019-0146
[4]PubMed2014
Boatman R, Kelsey J, Ball N. (2014). "Acute toxicity classification for ethylene glycol mono-n-butyl ether under the Globally Harmonized System.". Regulatory toxicology and pharmacology : RTP. https:/
[5]PubMed2013
Pomierny B, Starek A, Krzyżanowska W et al.. (2013). "Potential neurotoxic effect of ethylene glycol ethers mixtures.". Pharmacological reports : PR. https://doi.org/10.1016/s1734-1140(13)71501-9
[6]PubMed2006
Corthals SM, Kamendulis LM, Klaunig JE. (2006). "Mechanisms of 2-butoxyethanol-induced hemangiosarcomas.". Toxicological sciences : an official journal of the Society of Toxicology. https://doi.org/10
[7]PubMed2006
IARC Working Group on the Evaluation of Carcinogenic Risks to Humans. (2006). "Formaldehyde, 2-butoxyethanol and 1-tert-butoxypropan-2-ol.". IARC monographs on the evaluation of carcinogenic risks to
[8]PubMed2005
Gift JS. (2005). "U.S. EPA's IRIS assessment of 2-butoxyethanol: the relationship of noncancer to cancer effects.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.08.014
📚 Naukowe referencje (Chicago Author-Date) 14 refs · 2 baz

MOLECULE Bibliografia per-CAS (live z 13+ baz)

Źródła: db:pubmed (12) · db:Europe PMC (2)

  1. db:pubmed Shi X, Miao Y, Zhang K et al.. (2021). "Ethylene glycol butyl ether deteriorates oocyte quality via impairing mitochondrial function.". FASEB journal : official publication of the Federation of American Societies for Experimental Biology. https://doi.org/10.1096/fj.202002157R
  2. db:pubmed Woiski C, Dobslaw D, Engesser KH. (2020). "Isolation and characterization of 2-butoxyethanol degrading bacterial strains.". Biodegradation. https://doi.org/10.1007/s10532-020-09900-3
  3. db:pubmed Banaee S, Hee SSQ. (2020). "Permeation of ethoxy- and butoxy-ethanols through a disposable nitrile glove.". Industrial health. https://doi.org/10.2486/indhealth.2019-0146
  4. db:pubmed Boatman R, Kelsey J, Ball N. (2014). "Acute toxicity classification for ethylene glycol mono-n-butyl ether under the Globally Harmonized System.". Regulatory toxicology and pharmacology : RTP. https://doi.org/10.1016/j.yrtph.2013.11.004
  5. db:pubmed Pomierny B, Starek A, Krzyżanowska W et al.. (2013). "Potential neurotoxic effect of ethylene glycol ethers mixtures.". Pharmacological reports : PR. https://doi.org/10.1016/s1734-1140(13)71501-9
  6. db:pubmed Corthals SM, Kamendulis LM, Klaunig JE. (2006). "Mechanisms of 2-butoxyethanol-induced hemangiosarcomas.". Toxicological sciences : an official journal of the Society of Toxicology. https://doi.org/10.1093/toxsci/kfl007
  7. db:pubmed IARC Working Group on the Evaluation of Carcinogenic Risks to Humans. (2006). "Formaldehyde, 2-butoxyethanol and 1-tert-butoxypropan-2-ol.". IARC monographs on the evaluation of carcinogenic risks to humans.
  8. db:pubmed Gift JS. (2005). "U.S. EPA's IRIS assessment of 2-butoxyethanol: the relationship of noncancer to cancer effects.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.08.014
  9. db:pubmed Lockley DJ, Howes D, Williams FM. (2004). "Percutaneous penetration and metabolism of 2-butoxyethanol.". Archives of toxicology. https://doi.org/10.1007/s00204-004-0581-0
  10. db:pubmed Siesky AM, Kamendulis LM, Klaunig JE. (2002). "Hepatic effects of 2-butoxyethanol in rodents.". Toxicological sciences : an official journal of the Society of Toxicology. https://doi.org/10.1093/toxsci/70.2.252
  11. db:Europe PMC (2000). "NTP Toxicology and Carcinogenesis Studies 2-Butoxyethanol (CAS NO. 111-76-2) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).".
  12. db:pubmed Elliott BM, Ashby J. (1997). "Review of the genotoxicity of 2-butoxyethanol.". Mutation research. https://doi.org/10.1016/s1383-5742(97)00025-2
  13. db:Europe PMC (1993). "NTP technical report on the toxicity studies of Ethylene Glycol Ethers: 2-Methoxyethanol, 2-Ethoxyethanol, 2-Butoxyethanol (CAS Nos. 109-86-4, 110-80-5, 111-76-2) Administered in Drinking Water to F344/N Rats and B6C3F1 Mice.".
  14. db:pubmed Johanson G. (1988). "Aspects of biological monitoring of exposure to glycol ethers.". Toxicology letters. https://doi.org/10.1016/0378-4274(88)90017-3
Status regulacyjny substancji
Ta substancja podlega wymogom regulacyjnym: gospodarka odpadami niebezpiecznymi (BDO). Szczegoly w sekcji "Status regulacyjny (REACH/ECHA/CLP)" oraz na karcie SDS. Informacja regulacyjna — nie ogranicza zakupu w sklepie.
🧮 Kalkulator stechiometrycznyMolGod_STOICH_1
🧪 Dane chemiczneMolGod_CHEMDATA_1
Numer CAS
111-76-2
Wzór sumaryczny
C6H14O2
Masa molowa
118.17 g/mol
Nazwa IUPAC (EN)
2-butoxyethanol
SMILES
CCCCOCCO
InChIKey
POAOYUHQDCAZBD-UHFFFAOYSA-N
📚 Literatura naukowa (20 artykuł)MolGod_LITSCI_1
🔓
2-Butoxyethanol 3 citations
Andrea Hartwig · (2026) · MAK Collection for Occupational Health and Safety
TLDR The German Senate Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area (MAK Commission) re-evaluated the assignment of 2-butoxyethanol to Pregnancy Risk Group C and it is confirmed that the assignment to Pregnancy…
M. Dieter · (1993) · Toxicity report series
TLDR Most of the changes in organ weights for rats and mice treated with the glycol ethers were sporadic (mice) or related to low final mean body weights (rats), except for thymic atrophy in male and female rats and testicularatrophy in males of both spec…
(2000) · National Toxicology Program technical report series
TLDR The primary effect on the hematopoietic system was an anemia characterized as macrocytic, normochromic, and regenerative in males exposed to 125 ppm or greater and, to a greater extent, in all exposed groups of females.
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📡 Data sourcesMolGod_SOURCES_1

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

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

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

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2
Temp. wrzenia
171.1
Density
0.901

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

🔍 Identyfikatory zewnętrzneMolGod_EXTID_1
11 z 16 systemów ID69%
BazaIdentyfikatorAkcje
CAS Registry Number111-76-2Otwórz →
PubChem CID8133[1]Otwórz →
InChIKeyPOAOYUHQDCAZBD-UHFFFAOYSA-N[1]Otwórz →
SMILESCCCCOCCO[1]
EC Number203-905-0[2]Otwórz →
KEGG CompoundC19355Otwórz →
HMDBHMDB0031327Otwórz →
ChemSpider13836399[3]Otwórz →
UNII (FDA)I0P9XEZ9WVOtwórz →
NSC Number (NCI)60759Otwórz →
WikiData QIDQ421557Otwórz →

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

📚 Naukowe referencje (Chicago Author-Date) (3 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: PubChem CID · InChIKey · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. dotyczy: EC Number
  3. 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.

Bibliografia (rozszerzona) (9)

  1. ★★★★☆ CANONICAL_PAPERS 💰 Paywall (prawdop.) ❓ unverified Corley RA; Bormett GA; Ghanayem BI. 1994. "Physiologically based pharmacokinetics of 2-butoxyethanol and its major metabolite, 2-butoxyacetic acid, in rats and humans." Toxicology and applied pharmacology. link [dostep: 2026-09-23]
  2. ★★★★☆ OPENLIBRARY 🔓 OPEN Canada. Environment Canada. 2002. "2-butoxyethanol." Environment Canada. link [dostep: 2026-09-21] CC0 (metadata)
  3. ★★★★☆ OPENLIBRARY 🔓 OPEN J. Wess. 1998. "2-butoxyethanol." World Health Organization. link [dostep: 2026-09-21] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2002. "Toxicological Profile for 2-Butoxyethanol and 2-Butoxyethanol Acetate." ATSDR's Toxicological Profiles. https://doi.org/10.1201/9781420061888_ch3. link [dostep: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-07r13. link [dostep: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-07r21. link [dostep: 2026-09-23] CC0 (metadata)
  7. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-07. link [dostep: 2026-09-23] CC0 (metadata)
  8. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-93r01. link [dostep: 2026-09-23] CC0 (metadata)
  9. ★☆☆☆☆ OPENLIBRARY 🔓 OPEN United States. Agency for Toxic Substances and Disease Registry. 1998. "Toxicological profile for 2-Butoxyethanol and 2-Butoxyethanol Acetate." U.S. Dept. of Health and Human Services, Public Health Service, Agency for Toxic Substances and Disease Registry. link [dostep: 2026-09-21] CC0 (metadata)
📡 Spektroskopia — CAS 111-76-2MolGod_SPECHUB_MAIN
📊 Widma (NMR, IR, MS, UV-Vis) (1)

Dostępne typy widm: IR

Widmo IR (KBr, 4000-400 cm⁻¹)

440 punktów danych · Źródło: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Przewodnik interpretacji widm (dla studentów)
Jak czytać widmo IR
  • 3200-3600 cm⁻¹ — rozciąganie O-H (szeroki pik = wiązanie wodorowe)
  • 2850-3000 cm⁻¹ — rozciąganie C-H (sp³)
  • 1650-1750 cm⁻¹ — rozciąganie C=O (ketony, aldehydy, estry)
  • 1400-1600 cm⁻¹ — drgania pierścienia aromatycznego
  • 1000-1300 cm⁻¹ — rozciąganie C-O (etery, alkohole)
  • Brak absorpcji = brak grupy funkcyjnej → porównaj z referencją

Źródła: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Naukowe referencje (Chicago Author-Date) (7 źródeł)
  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01.
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01.
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01.
Wlasciwosci strukturalneMolGod_STRUCT3D_1

Ladowanie danych strukturalnych...

❓ Najczęstsze pytania (4)MolGod_FAQ_1
What is the boiling point of 111-76-2?
The boiling point of 111-76-2 is 171.1.
Pomocne?
What is 111-76-2?
111-76-2 (CAS 111-76-2) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Pomocne?
What is the CAS number of 111-76-2?
The CAS number for 111-76-2 is 111-76-2. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Pomocne?
How should 111-76-2 be stored?
111-76-2 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.
Pomocne?
➕ Zaproponuj pytanie
Pobierz pliki strukturyMolGod_STRDL_1

Pliki struktury molekularnej z bazy PubChem (NIH). Kompatybilne z programami: Avogadro, PyMOL, Jmol, ChemDraw.

Zrodlo: PubChem, National Library of Medicine (NIH). CID: 8133

🔄 Konwerter jednostek stężeń LIVE MolGod_UNITCONV_1

Wpisz stężenie 2-Butoxyethanol w dowolnej jednostce — reszta obliczy się automatycznie.

MW: 118.17 g/mol · IUPAC Gold Book ↗

⚗️ Wzory konwersji + cytacje (per formuła)
KonwersjaWzórDokładnośćŹródło
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen 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) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (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 ↔ molarityc (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 ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen 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 ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen 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)
📚 Bibliografia (8 źródeł autorytatywnych)
  1. 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
  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). 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
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM ·
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 ·
    → General rules for physical quantities and units
  5. 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
  6. 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)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. 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
Podobne struktury molekularneMolGod_SIMSTR_1

Ladowanie podobnych struktur...

Wyjasnienia naukoweMolGod_EDU3D_1

Automatycznie wygenerowane wyjasnienia na podstawie wlasciwosci molekularnych i oznaczen GHS. Zrodlo: dane PubChem + klasyfikacja CLP/GHS.

Czasteczka umiarkowanie polarna

LogP = 0.80 wskazuje na rownowage miedzy hydrofilowoscia a lipofilowoscia. Czasteczka moze rozpuszczac sie zarowno w wodzie, jak i w niektorych rozpuszczalnikach organicznych.

Interpretacja na podstawie XLogP3 (PubChem)
Substancja szkodliwa po polknieciu

LD50 doustne 200-2000 mg/kg. Umiarkowana toksycznosc — czasteczka moze wywolywac efekty toksyczne przy wyzszych dawkach.

Klasyfikacja GHS/CLP, kod H302
Substancja draznaca skore

Czasteczka wywoluje miejscowa reakcje zapalna w kontakcie ze skora, prawdopodobnie przez interakcje z lipidami naskorkowej bariery ochronnej.

Klasyfikacja GHS/CLP, kod H315
Substancja draznaca oczy

Kontakt z oczami wywoluje podraznienie. Czasteczka interaguje z bialkami rogowki lub blony sluzowej, wywolujac odpowiedz zapalna.

Klasyfikacja GHS/CLP, kod H319
🧪 Kreator przygotowania roztworu WIZARD MolGod_PREP_1
① Wybierz stężenie
② Objętość docelowa
③ Rozpuszczalnik

Obliczenia wg: IUPAC Gold Book ↗, Merck ↗

Chemia obliczeniowaMolGod_COMPCHEM_1

Ladowanie danych obliczeniowych...

🛡️ Bezpieczeństwo — CAS 111-76-2MolGod_SAFEHUB_MAIN
Informacja o ograniczeniach danych. Informacje dotyczące bezpieczeństwa zawarte na tej stronie mają charakter informacyjny i nie zastępują pełnej karty charakterystyki (SDS). Przed użyciem produktu zapoznaj się z aktualną kartą charakterystyki producenta oraz wytycznymi GHS/CLP. Klasyfikacja CLP dotyczy czystej substancji bulk, nie preparatów handlowych.

Klasyfikacja GHS/CLP — Rozporządzenie (WE) nr 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Niebezpieczeństwo (Danger)
GHS06 — Toksyczne
GHS06 Toksyczne
GHS07 — Drażniące / szkodliwe
GHS07 Drażniące / szkodliwe

🚨 Zwroty wskazujące rodzaj zagrożenia (H)

  • H331 — Działa toksycznie w następstwie wdychania
  • H302 — Działa szkodliwie po połknięciu
  • H315 — Działa drażniąco na skórę
  • H319 — Działa drażniąco na oczy

🛡 Zwroty określające środki ostrożności (P)

  • P261 — Unikać wdychania pyłu/dymu/gazu/mgły/par/rozpylonej cieczy
  • P264 — Dokładnie umyć ręce po użyciu
  • P203 — Przed użyciem uzyskać, przeczytać i postępować zgodnie ze wszystkimi instrukcjami dotyczącymi bezpieczeństwa

✓ Klasyfikacja zharmonizowana zgodnie z załącznikiem VI do rozporządzenia CLP (WE) 1272/2008 (klasyfikacja urzędowa, wiążąca). Numer indeksowy: 603-014-00-0.

Referencja (Chicago): European Chemicals Agency. "2-butoxyethanol; ethylene glycol monobutyl ether, Index No. 603-014-00-0." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — Grupa 3: nieklasyfikowalny pod względem rakotwórczości (oceniony przez IARC). (Niezależna ocena dowodów rakotwórczości IARC/WHO — uzupełnia klasyfikację CLP powyżej.)
Referencja (Chicago): IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 111-76-2. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.
Klasyfikacja z lokalnego wykazu MOL-GOD (snapshot) — niezweryfikowana względem bieżącej listy IARC. Zweryfikuj

Tłumaczenia: Rozporządzenie CLP (WE) 1272/2008, Załącznik III i IV. Dane: PubChem/NLM.

📚 Skonsolidowane referencje naukowe — Chicago Author-Date 10 źródeł

Referencje zebrane ze wszystkich zakładek Safety Hub. CAS: 111-76-2 · PubChem ↗

  1. 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, Regulacje
  2. 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
  3. 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
  4. 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
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. 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

Zakładki z własnymi referencjami (Emergency, PPE, Storage, Waste) zawierają dodatkowe pozycje bibliograficzne wewnątrz swoich sekcji.

📈 Statystyka analityczna (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Wklej serię powtórzeń pomiarów (CSV lub po jednej liczbie w linii). Kalkulator policzy średnią, odchylenie, 95% CI, wykryje outliery (Grubbs + Dixon Q).

Separator: przecinek, spacja, tab, nowa linia. Min 3 pomiary.
📐 Formuły statystyczne
  • x̄ = Σxᵢ / n — średnia arytmetyczna
  • s² = Σ(xᵢ - x̄)² / (n-1) — wariancja próby
  • s = √s² — odchylenie standardowe
  • RSD% = (s / x̄) × 100% — względne odchylenie
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test Grubbsa
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Kalkulator receptur buforów UNIKALNE

Wybierz bufor z listy 20 popularnych systemów → wprowadź docelowe pH → otrzymasz dokładny przepis z masami do odważenia.

Krok 1: Wybierz system buforowy

📜 Historia przepisów (ostatnie 10)
📅 Project Planner — Lab experiment manager NOWOŚĆ

Zaplanuj cały projekt laboratoryjny: dodaj eksperymenty z reagentami, powtórzeniami i czasem trwania. Otrzymasz wykres Gantta, listę zakupów (linki do sklepu!), budżet z 10% marginesem i macierz ryzyka GHS.

🧪 Rozpuszczalność i kompatybilność z solwentami MolGod_SOLUB_1
Molekuła
2-Butoxyethanol
Wzór
C6H14O2
logP (XLogP3)
Masa (g/mol)
118.17
Polarność

⚠️ Estymacja GC (Hoftyzer-Van Krevelen). Brak danych literaturowych HSP dla tego CAS — precyzja ±2 MPa½. Weryfikuj eksperymentalnie.

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
📚 Naukowe referencje dla solwentów (Chicago Author-Date) — kliknij aby rozwinąć

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

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria rozpuszczalności (zastosowane w przewidywaniu kompatybilności):
  1. 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).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + wzór Ra.
  3. 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
  4. 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.
  5. 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.
  6. 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.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Kompletny tabularny zestaw 250+ rozpuszczalników (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 111-76-2 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Kompletna bibliografia w akordeonie REFERENCJE (na dole strony) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Sprawdź kompatybilność reakcji MolGod_RXNCOMP_1
3 0 0
Zdrowie: 3/4
Palność: 0/4
Reaktywność: 0/4
Wg NFPA 704 / obliczone z H-codes

Sprawdź czy 2-Butoxyethanol jest kompatybilny z innym odczynnikiem

📦 Matryca kompatybilności przechowywania
Kwasy Zasady Utleniacze Łatwopalne Toksyczne Gazy
Kwasy
Zasady
Utleniacze
Łatwopalne
Toksyczne
Gazy
✓ Można razem · ⚠ Ostrożnie · ✗ NIE przechowywać razem · OSHA Chemical Segregation ↗

Dane kompatybilności z: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Kalkulatory laboratoryjne (8) MolGod_LABCALC_1
Rozcieńczenie (C₁V₁=C₂V₂)
Molarność (M=n/V)
pH Bufor (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masa → Mole
Stężenie % → M
ppm → mg/L
Temperatura C↔F↔K

Formuły zweryfikowane: IUPAC Gold Book ↗, DOI ↗

📊 Bazy widm spektroskopowych MolGod_SPECDB_3
📋 Generator protokołu laboratoryjnego MolGod_PROTOCOL_1

Protokół wygenerowany na podstawie: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generator etykiety (QR) MolGod_LABEL_1
Butyl Glycol• 2-Butoxyethanol / Butyl cellosolve• IUPAC: 2-butoxyethanol• CAS: 111-76-2• EC: 203-905-0• Wzór: C6H14O2• Masa: 118.17 g/molNIEBEZPIECZEŃSTWOZwroty wskazujące rodzaj zagrożenia (H):H331 H302 H315 H319P203 P261 P264WYŁĄCZNIE DO CELÓW LABORATORYJNYCH!Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)

Wykres radarowy drug-likeness (Lipinski Ro5 / Veber). Strefa zielona = zgodność z kryteriami.

Dane predykcyjne — właściwości obliczone in silico (SMILES/RDKit). Nie zastępują badań klinicznych. Nie używaj do oceny leków bez weryfikacji eksperymentalnej.

MW118.2LogP0.8HBD1HBA2RotB5TPSA29.5 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=118)✗ REOS (MW=118)✗ Lead-like Ro3 (RotB=5)
WłaściwośćWartośćOcena
Wchłanianie (GI)wysokie
Przepuszczalność BBBtak (przenika)
Biodostępność (Daina 2017)
55%
Profil CYP450CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
Alerty PAINS0
Alerty Brenka0
pKa (pH 7.4)7 (heuristic)
hERG (kardiotoks.)✓ nie
P-gp substrat
Ames mutagenność✓ nie
DILI (wątrobok.)
LogS (rozp. wod.)
Źródła (metodologia ADMET)
  1. 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.
  2. 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.
  3. 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.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. 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.
  6. 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.
  7. 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.
  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.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. 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.
  11. 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.
  12. 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.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. 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.
  15. 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.
  16. 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.
  17. 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.
  18. 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.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
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  27. IARC Working Group on the Evaluation of Carcinogenic Risks to Humans. (2006). "Formaldehyde, 2-butoxyethanol and 1-tert-butoxypropan-2-ol.". IARC monographs on the evaluation of carcinogenic risks to humans.
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  53. Chemical Insights Research Institute (20410063). 2022. "2-Butoxyethanol – A Common Air Pollutant." DOI: 10.60752/102376.28035572.v1. [DOI ↗]
  54. R. Gerald Arokiaraj, S. Ravikumar, R. Raju et al. 2022. "Investigation of solute-solvent interactions between 2-butoxyethanol and substituted ketones by volumetric, acoustic and FTIR studies at T=(303.15–318.15) K." Chemical Thermodynamics and Thermal Analysis. DOI: 10.1016/j.ctta.2022.100049. [DOI ↗]
  55. et al. 2016. "Removal of 2-butoxyethanol gaseous emissions by biotrickling filtration packed with polyurethane foam." DOI: 10.1016/j.nbt.2015.11.006. [DOI ↗]
  56. 2012. "Explaining skin permeation of 2-butoxyethanol from neat and aqueous solutions." DOI: 10.1016/j.ijpharm.2012.01.058. [DOI ↗]
  57. et al. 2010. "The role of hypoxia in 2-butoxyethanol-induced hemangiosarcoma." DOI: 10.1093/toxsci/kfp213. [DOI ↗]
  58. United States. Agency for Toxic Substances and Disease Registry. 1998. "Toxicological profile for 2-Butoxyethanol and 2-Butoxyethanol Acetate." U.S. Dept. of Health and Human Services, Public Health Service, Agency for Toxic Substances and Disease Registry.
  59. 2000. "NTP Toxicology and Carcinogenesis Studies 2-Butoxyethanol (CAS NO. 111-76-2) in F344/N Rats and B6C3F1 Mice (Inhalation Studies)."
  60. 2000. "NTP Toxicology and Carcinogenesis Studies 2-Butoxyethanol (CAS NO. 111-76-2) in F344/N Rats and B6C3F1 Mice (Inhalation Studies)." National Toxicology Program technical report series.
  61. M. Dieter. 1993. "NTP technical report on the toxicity studies of Ethylene Glycol Ethers: 2-Methoxyethanol, 2-Ethoxyethanol, 2-Butoxyethanol (CAS Nos. 109-86-4, 110-80-5, 111-76-2) Administered in Drinking Water to F344/N Rats and B6C3F1 Mice." Toxicity report series.
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📚 Przegląd literatury naukowej — CAS 111-76-2MolGod_LITHUB_MAIN
⭐ Najważniejsze odkrycia (literatura naukowa) 17 publikacji
🏆 CAS 111-76-2 — multi-criteria ranking (W12): 30% cytowania · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    R. Gerald Arokiaraj, S. Ravikumar, R. Raju et al. (2022) · Chemical Thermodynamics and Thermal Analysis
    Dlaczego ważne: Open access
    SCORE 8.56 Mechanizm Citations: 7 Open Access DOI ↗
  2. #2
    Mohammad Mafizur Rahman, Md. Ariful Islam, Faisal I Chowdhury et al. (2023) · Journal of Applied Science & Process Engineering
    Dlaczego ważne: Aktualna (2023) · open access
    SCORE 8.25 Mechanizm Citations: 4 Open Access DOI ↗
  3. #3
    Andrea Hartwig (2026) · MAK Collection for Occupational Health and Safety
    Dlaczego ważne: Aktualna (2026) · open access
    SCORE 8.06 Mechanizm Citations: 3 Open Access DOI ↗ PubMed ↗
  4. #4
    Corley RA; Bormett GA; Ghanayem BI (1994) · Toxicology and applied pharmacology
    Dlaczego ważne: Must-cite (kanon)
    SCORE 7.43 Farmakologia MUST-CITE Citations: 87 DOI ↗
  5. #5
    Sara Heidari Goudarzi; Vahid Javanbakht; Maryam Mehrabi (2025)
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 7.05 Mechanizm Open Access DOI ↗
  6. #6
    Eun Jin (Jenny) Song Kuromoto; Shane Stephen Que Hee (2025)
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 6.25 Mechanizm Open Access DOI ↗
  7. #7
    Eun Jin Song Kuramoto; Shane Que Hee (2025) · Materials
    Dlaczego ważne: Aktualna (2025) · open access
    SCORE 6.25 Mechanizm Open Access DOI ↗ PubMed ↗
  8. #8
    Chanchal Das (2024)
    Dlaczego ważne: Aktualna (2024) · open access
    SCORE 6.25 Mechanizm Open Access DOI ↗
  9. #9
    Katarzyna Miranowicz-Dzierżawska, Miranowicz-Dzierżawska, Katarzyna, Starek, Andrzej et al. (2015) · Nofer Institute of Occupational Medicine
    Dlaczego ważne: Open access
    SCORE 5.98 Przemysł Citations: 2 Open Access DOI ↗
  10. #10
    William Siu, Yoshikata Koga (1989) · Canadian Journal of Chemistry
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 5.17 Mechanizm Citations: 52 DOI ↗
  11. #11
    Annette L. Bunge; John M. Persichetti; Jean Paul Payan (2012) · International Journal of Pharmaceutics
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.79 Mechanizm Citations: 24 DOI ↗ PubMed ↗
  12. #12
    (2000)
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.7 Przemysł Citations: 19 PubMed ↗
  13. #13
    M. Dieter (1993) · Toxicity report series
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.14 Farmakologia Citations: 23 PubMed ↗
  14. #14
    Chemical Insights Research Institute (20410063) (2022)
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 3.6 Mechanizm DOI ↗
  15. #15
    et al. (2011) · Occupational and Environmental Medicine
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 2.91 Przemysł Citations: 3 DOI ↗ PubMed ↗
  16. #16
    Lisa M. Kamendulis; Stacy M. Corthals; James E. Klaunig (2010) · Toxicology
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 2.61 Mechanizm Citations: 3 DOI ↗ PubMed ↗
  17. #17
    Angerer J; Lichterbeck E; Begerow J et al. (1990) · International archives of occupational and environmental health
    Dlaczego ważne: Must-cite (kanon)
    SCORE 0 Przemysł MUST-CITE DOI ↗
🔬 HPLC — metody i parametry — CAS 111-76-2MolGod_HPLCHUB_MAIN
📈 Gradient HPLC — optymalizator (LSS) SZABLON

Gradient oparty na PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Kolumna: C18
  • Bufor: phosphate
  • Przepływ: 1 mL/min
  • logP: 0.8 (PubChem XLogP3)
  • Rampa: 11% → 95% B, 10 min
  • Całkowity czas analizy: 23 min
t (min) %A %B flow (mL/min) Komentarz
0 89 11 1 start (równowaga)
2 89 11 1 koniec hold init
12 5 95 1 koniec rampy LSS
17 5 95 1 mycie kolumny
18 89 11 1 powrót do init
23 89 11 1 reekwilibracja
📚 Naukowe referencje (Chicago Author-Date)
  1. 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).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. 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.
  4. 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.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. 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.
  7. 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 ↗]
  8. 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).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. 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/111-76-2

📐 Wymiary kolumny — kalkulator van Deemter N=12,466

Wzór: 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).

Wymiary150 × 4.6 mm, 5 µm
Płyty teoretyczne (N)12,466
N przy u_opt12,500
HETP (obecna)12.032 µm
HETP min12 µm
Prędkość liniowa (u)0.1003 cm/s
u_opt (van Deemter)0.12 cm/s
Ciśnienie wsteczne (ΔP)42.1 bar
Czas analizy (mart-vol)2.49 min
📚 Naukowe referencje (Chicago Author-Date)
  1. 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.
  2. 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).
  3. 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.
  4. 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.
  5. 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).
  6. 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.
  7. 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).
  8. 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.
  9. Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/111-76-2

🧪 Faza ruchoma — macierz kompatybilności MISCIBLE
Składnik Nazwa UV cutoff (nm) P' Detektory
Rozp. Acetonitrile (MeCN) 190 5.8 UV, MS, ELSD, RID, FLD
Rozp. Water 190 10.2 UV, MS, ELSD, RID, FLD
Bufor Phosphate (KH2PO4 / K2HPO4) 195 pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5 MS ✗

Detektor: UV — kompatybilny z oboma rozpuszczalnikami.

📚 Naukowe referencje (Chicago Author-Date)
  1. Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
  2. 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
  3. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
  4. 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
  5. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
  6. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
  7. 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
  8. 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
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

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

Kompletny przewodnik po metodzie HPLC Recenzowane

Scenariusze specyficzne dla cząsteczki, rozwiązywanie problemów i odniesienia literaturowe

Molecular Predictor

Predicted parameters for this molecule (CAS 111-76-2) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
1.2 min
Range: 0.84 – 1.56
confidence: low
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
confidence: low
Brak MW
Buffer pH
2
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: low

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

Prawdziwy problem chemika

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

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

Jak to rozwiązujemy

1

Exact Solvent List

Name + CAS + Grade + Role in method

2

Grade Explanations

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

3

Consumption Calculator

4

Shopping List

One-click add to cart

Kalkulator interaktywny

Deep Education

Zrozumieć chemię fazy ruchomej

Why Acetonitrile vs Methanol?
PropertyAcetonitrile (ACN)Methanol (MeOH)
Viscosity (20°C)0.37 cP0.59 cP (+59%)
Back Pressure~150 bar~210 bar (+40%)
UV Cutoff190 nm205 nm
Elution StrengthStrongerWeaker
Price (typical)115 PLN/L70 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.

1. Solwenty — ACN vs MeOH

Nasza (ACN)Alternatywa (MeOH)
Cena/L115 PLN70 PLN
Runtime/sample23 min32 min (+40%)
Back pressure150 bar210 bar
Solwent/sample~130 mL~180 mL
Koszt/sample~5 PLN~4.5 PLN
Czas/sample23 min32 min
Czas pracy chemika
Total/quarter

2. Kolumna — z guard vs bez

Nasza (z guard)Bez guard
Guard column200 PLN / 100 inj
Main column lifetime2000 inj500 inj
Columns / quarter
Guards / quarter
Downtime wymiany (h)
Total/quarter

3. Method development — SOP vs scratch

Nasza (SOP template)Custom dev
Initial setup1 h (use template)40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)8 h24 h
Dokumentacja2 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/sample5 min23 min
Samples/8h shift
Shifts potrzebnych
Koszt pracy
Savings
Total annual savings:

Najczęściej zadawane pytania

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=118.17, CAS 111-76-2) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

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

Source: r/chemistry

ACN: 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

Gradient Problem From The Lab

Stability studies — forced degradation

5 degradation conditions (acidic / alkaline / oxidation / light / temperature). You must separate all degradation products.

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 endDurationSlope (Δ%B/min)Step

Slope & Dwell Volume Test

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 kw − 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.

Najczęściej zadawane pytania

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

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla 2-butoxyethanol (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

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

Source: Snyder Seminar

Column Choice Dilemma

Pressure too high — what next?

Pressure rises to 400 bar (max 300 for this column). The system is blaring an alarm. Do you shut the pump down? Yes/no?

Recommended Columns

A

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

B

Waters XBridge C18

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

C

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

Najczęściej zadawane pytania

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

Rule of thumb: analyty MW10000 (białka) → pore 1000 Å. Dla MW=118.17 (CAS 111-76-2) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

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

Detection Gotcha

First method — how do you know where to start?

Widzisz HPLC z 5 tabletkami na ekranie: Method · Sequence · Sample · Diagnosis · Service. Klikasz Method — "No method loaded". Co teraz?

DAD Settings

ParameterValueWhy
Wavelength210 nm (primary) + 254 nm (aromatic)Uniwersalne dla COOH/C=O
Bandwidth4 nmBalance of sensitivity vs selectivity
Response time0.5 sZgodne z peak width ~5 s
Reference λ360 nm, bw 100 nmKompensacja 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.

Validation Reality Check

Batch release testing per GMP

Release of 5 batches per month. The method must meet USP , ICH Q2(R1), FDA 2015 Guidance. Auditable documentation.

USP <621> + ICH Q2(R1) Criteria

ParameterAcceptanceFormula
Resolution (Rs)≥ 2.02(tR2 − tR1) / (w1 + w2)
Tailing factor (Tf)≤ 1.5W0.05 / (2·f)
Plates (N)≥ 500016·(tR / w)²
RSD (6 injections)≤ 2.0%σ / μ × 100%
Linearity (R²)≥ 0.999080–120% 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 (Rs) &geq; 2.0
  • Tailing factor (Tf) &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) Literatura: Kaphalia BS, Ghanayem BI, Ansari GA (1996) Zorbax SB-C18 150×4.6 mm
Particle size 3.5 μm 5 μm (USP default) 3–5 μm 5 μm
Faza A 10 mM NH₄HCO₃ pH 7.0 Phosphate buffer pH 2.5 Varies per paper 0.1% TFA w H₂O
Faza B Acetonitryl HPLC grade Acetonitryl / Methanol ACN lub MeOH Acetonitryl / 0.1% TFA
Gradient 5 → 95% B w 15 min (linear) Isocratic (preferowane w USP) Custom per publikacja 10 → 90% B w 20 min
Flow 1.0 mL/min 1.5 mL/min 0.8–1.2 mL/min 1.0 mL/min
Temperatura 30°C 25°C 25–40°C 40°C
Detekcja UV 210 nm + 254 nm UV 254 nm (standard USP) UV/MS (per paper) DAD 210/254 nm
Runtime 23 min 30 min 15–45 min 25 min
Rs (typ.) 2.3 ≥ 2.0 varies 2.1
Walidacja USP <621> + ICH Q2(R1) USP <621> obligatoryjnie Research-grade Application note only
Solvent cost/run ~5 PLN/run ~7 PLN/run varies ~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

Najczęściej zadawane pytania

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 2-butoxyethanol (CAS 111-76-2) 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

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

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

Source: USP Online

Prep Mistakes That Ruined The Run

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

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

Sample Prep Protocol

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

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

Analiza powypadkowa — prawdziwe historie porażek Wnioski

Prawdziwe wpadki chemików — co się stało, co pomogło, czego unikać.

Method transfer from Warsaw to Krakow failed

R&D team, 2 sites 2025-09-18 Poziom 5/5
Co się stało:

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.

48 godzin stracone na niewidoczne piki

Anna K., studentka 2. rok, PW 2024-11-15 Poziom 2/5
Co się stało:

Day 1 — I prepared the sample, injected it, baseline flat. Day 2 — I repeated it 6× with different samples. Nothing. Wave check? Professor: "Take a look at the DAD scan". λ_max = 214 nm, and I had 254 nm set.

💡 Lekcja:

ALWAYS run a UV scan of an unknown compound BEFORE the method. 254 nm = aromatics only. 210 nm = universal. Time saved: 2 days of work.

Bibliografia i odniesienia

[1]
Kaphalia BS, Ghanayem BI, Ansari GA. (1996). Nonoxidative metabolism of 2-butoxyethanol via fatty acid conjugation in Fischer 344 rats.. Journal of toxicology and environmental health, 49, 463-79. https://doi.org/10.1080/009841096160691.
DOI PubMed
[2]
Rettenmeier AW, Hennigs R, Wodarz R. (1993). Determination of butoxyacetic acid and N-butoxyacetyl-glutamine in urine of lacquerers exposed to 2-butoxyethanol.. International archives of occupational and environmental health, 65, S151-3. https://doi.org/10.1007/BF00381329.
DOI PubMed
[3]
Ghanayem BI, Blair PC, Thompson MB, Maronpot RR, Matthews HB. (1987). Effect of age on the toxicity and metabolism of ethylene glycol monobutyl ether (2-butoxyethanol) in rats.. Toxicology and applied pharmacology, 91, 222-34. https://doi.org/10.1016/0041-008x(87)90103-7.
DOI PubMed
[4]
Ghanayem BI, Burka LT, Matthews HB. (1987). Metabolic basis of ethylene glycol monobutyl ether (2-butoxyethanol) toxicity: role of alcohol and aldehyde dehydrogenases.. The Journal of pharmacology and experimental therapeutics, 242, 222-31.
PubMed
[5]
Ghanayem BI, Burka LT, Sanders JM, Matthews HB. (1987). Metabolism and disposition of ethylene glycol monobutyl ether (2-butoxyethanol) in rats.. Drug metabolism and disposition: the biological fate of chemicals, 15, 478-84.
PubMed

Ask about this method

Cześć — jestem wytrenowany na wszystkich scenariuszach, FAQ i literaturze dla tej metody. Zapytaj mnie o cokolwiek.

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🔄 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 111-76-2). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
Diethylene glycol monomethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Ethylene glycol dimethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Diethylene glycol monohexyl ether
Ta sama kategoria · Ta sama kategoria produktu
Diethylene glycol dimethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Propylene glycol monomethyl ether (PM)
Ta sama kategoria · Ta sama kategoria produktu
📄 Certyfikaty Analiz (CoA) CAS 111-76-2 brak MolGod_COA_2

Brak certyfikatów dla tego produktu w bazie.

📚 Naukowe referencje (Chicago Author-Date) — kliknij aby rozwinąć

Standardy zarządzania batchami i certyfikacji laboratoryjnej — 13 niezależnych źródeł (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. 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
  2. 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
  3. 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
  4. 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
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. 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)
  9. 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 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. 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
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients
🧮 Ceny hurtowe (B2B)MolGod_BULK_1

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Bibliografia (rozszerzona) (8)

  1. ★★★★☆ OPENLIBRARY 🔓 OPEN Canada. Environment Canada. 2002. "2-butoxyethanol." Environment Canada. link [dostep: 2026-09-21] CC0 (metadata)
  2. ★★★★☆ OPENLIBRARY 🔓 OPEN J. Wess. 1998. "2-butoxyethanol." World Health Organization. link [dostep: 2026-09-21] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2002. "Toxicological Profile for 2-Butoxyethanol and 2-Butoxyethanol Acetate." ATSDR's Toxicological Profiles. https://doi.org/10.1201/9781420061888_ch3. link [dostep: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-07r13. link [dostep: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-07r21. link [dostep: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-07. link [dostep: 2026-09-23] CC0 (metadata)
  7. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Specification for 2-Butoxyethanol.". https://doi.org/10.1520/d0330-93r01. link [dostep: 2026-09-23] CC0 (metadata)
  8. ★☆☆☆☆ OPENLIBRARY 🔓 OPEN United States. Agency for Toxic Substances and Disease Registry. 1998. "Toxicological profile for 2-Butoxyethanol and 2-Butoxyethanol Acetate." U.S. Dept. of Health and Human Services, Public Health Service, Agency for Toxic Substances and Disease Registry. link [dostep: 2026-09-21] CC0 (metadata)
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📚 REFERENCJE (Bibliografia zbiorcza, Chicago Author-Date) 122 items

Wszystkie źródła naukowe cytowane w akordeonach powyżej dla CAS 111-76-2. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Bazy danych naukowych

  1. NIST. n.d. NIST Chemistry WebBook: CAS 111-76-2. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=111-76-2.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 111-76-2. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. 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.
  4. PubChem. n.d. PubChem Compound Summary: CAS 111-76-2. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=111-76-2.

📐 Standardy / Wytyczne

  1. 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.
  2. 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.
  3. 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.
  4. 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.
  5. 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.
  6. 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.
  7. 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.
  8. 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.
  9. 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.

📖 Książki

  1. 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.
  2. 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.
  3. 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.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monografie

  1. IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 111-76-2. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

📄 Artykuły naukowe (peer-reviewed)

  1. 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.
  2. 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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