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Eapearl Chemical
Diethylene glycol monobutyl ether, CAS 112-34-5 — chemical product label

Diethylene glycol monobutyl ether

Butyl Carbitol

CAS 112-34-5 EC 203-961-6 C8H18O3 Ether SDS published CLP Warning

⚠️ 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 NameDiethylene glycol monobutyl ether
Other NamesButyl Carbitol
CAS No.112-34-5
EINECS No.203-961-6
MFC8H18O3
Molecular weight162.23
Purity99.0%
AppearanceColorless liquid
Density0.967 g/mL at 25 °C (lit.)
Melting point-68 °C (lit.)-68 °C (lit.)
Boiling point231 °C (lit.)
Flashing point212°F

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

Hazard classification

GHS pictogram GHS07 — Irritant / harmful

Warning

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

  • H319 Causes serious eye irritation
Precautionary statements (3)
  • P264 Wash thoroughly after handling
  • P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray
Full safety data sheet CLP label (EN)

European Chemicals Agency. "2-(2-butoxyethoxy)ethanol; diethylene glycol monobutyl ether, Index No. 603-096-00-8." 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

Drum180 kg
IBC Drum1127 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Diethylene glycol monobutyl ether
Diethylene glycol monobutyl ether
Diethylene glycol monobutyl ether
Diethylene glycol monobutyl ether
Diethylene glycol monobutyl ether

Diethylene glycol monobutyl ether(Butyl Carbitol) is the premium member of the ethylene glycol ether family. It is an outstanding, high-boiling-point, low-volatile, environmentally friendly solvent. Its molecular structure contains both hydrophilic ether segments and hydrophobic butyl ends, making it an excellent “bridging solvent” that can effectively mix the aqueous phase and the oil phase. It has strong solubility and coupling capabilities for resins, oils, dyes, and cellulose derivatives. With a high boiling point of approximately 230°C and a very slow evaporation rate, it is particularly suitable for high-end applications that require long-lasting effects, high-temperature process stability, or strict anti-whiteing (anti-reversion to white) requirements.

Diethylene glycol monobutyl ether(Butyl Carbitol) Offer applications in multiple industries such as coatings, cleaning, agrochemicals, electronics, and specialty chemicals.Diethylene glycol monobutyl ether(Butyl Carbitol) Offer applications in multiple industries such as coatings, cleaning, agrochemicals, electronics, and specialty chemicals.Diethylene glycol monobutyl ether(Butyl Carbitol) Offer applications in multiple industries such as coatings, cleaning, agrochemicals, electronics, and specialty chemicals.

Diethylene glycol monobutyl ether(Butyl Carbitol) Offer applications in multiple industries such as coatings, cleaning, agrochemicals, electronics, and specialty chemicals.

Product Description

Anhui Eapearl  Chemical Co., Ltd., as a leading professional manufacturer and solution provider of alcohol ether solvents in China, relies on advanced production processes, strict quality control systems and a complete supply chain to currently provide the market with high-performance diethylene glycol monobutyl ether (butyl carbomer). We are committed to transforming this multi-functional “bridging solvent”, which features extremely high boiling point, excellent solubility, extremely low volatility and outstanding safety and environmental protection properties, into a core material for customers in industries such as coatings, inks, cleaning, agrochemicals and electronic chemicals to achieve breakthroughs in product performance and process upgrades. 

Product Core Positioning 

Diethylene glycol monobutyl ether (commonly known as butyl carbomethanol) is the premium member of the ethylene glycol ether family. It is an outstanding, high-boiling-point, low-volatile, environmentally friendly solvent. Its molecular structure contains both hydrophilic ether segments and hydrophobic butyl ends, making it an excellent “bridging solvent” that can effectively mix the aqueous phase and the oil phase. It has strong solubility and coupling capabilities for resins, oils, dyes, and cellulose derivatives. With a high boiling point of approximately 230°C and a very slow evaporation rate, it is particularly suitable for high-end applications that require long-lasting effects, high-temperature process stability, or strict anti-whiteing (anti-rebrowning) requirements.

Core application value and solutions

High-end industrial coatings and inks (the “big white water” core application): As the industry’s recognized “big white water”, its core value lies in extending and stabilizing the coalescence window period of the coating film. When applied in high-humidity environments, it can effectively prevent water from penetrating the coating that is not fully formed, avoiding “re-whitening” or “fogging” caused by a sudden change in refractive index, significantly enhancing the final gloss, transparency, and appearance quality of varnish, high-gloss paint, and water-based wood coatings. At the same time, its high boiling point characteristic is also an ideal slow-drying solvent and leveling agent for industrial coatings such as baking paints and electrophoretic paints.

Heavy dirt industrial cleaning and precision electronic cleaning: With strong hydrophobic dissolution power for oils, carbon deposits, and polymer residues, as well as long-lasting contact time brought by high boiling point, it is a key component for preparing heavy oil stain cleaning agents, paint strippers, engine cleaning agents. High-purity electronic-grade products are more suitable for semiconductor photolithography removal, liquid crystal panels, and optical components’ precision cleaning, and its low residue characteristic ensures high cleanliness after cleaning.

Agricultural chemical formulations: As an efficient solvent, emulsifier, and penetration aid, it can enhance the solubility of pesticide active ingredients, improve the spreading, adhesion, and internal absorption and translocation efficiency of the pesticide solution on the leaf surface, thereby enhancing the efficacy and persistence period of the pesticide.

Special chemicals and processing aids: Widely used as resin plasticizers, hydraulic brake fluid diluents, fiber lubricants, cutting oil components, rubber and adhesive components, and organic synthesis intermediates.

Consumer chemicals: As an excellent coupling agent and solvent in personal care products and household cleaning agents, it is used to stabilize and enhance the solubility of hydrophobic active substances such as fragrances and essential oils.

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.

Diethylene glycol monobutyl ether(Butyl Carbitol) Offer applications in multiple industries such as coatings, cleaning, agrochemicals, electronics, and specialty chemicals.

Diethylene glycol monobutyl ether(Butyl Carbitol) Offer applications in multiple industries such as coatings, cleaning, agrochemicals, electronics, and specialty chemicals.

Delivery&Payment method

Diethylene glycol monobutyl ether(Butyl Carbitol) Offer applications in multiple industries such as coatings, cleaning, agrochemicals, electronics, and specialty chemicals.

Frequently asked

In what packaging is Diethylene glycol monobutyl ether shipped?

Standard formats are Drum (180 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 Diethylene glycol monobutyl ether?

Yes. A full safety data sheet for CAS 112-34-5 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 Diethylene glycol monobutyl ether

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🧬 Visualiseur de molécule 3D
Chargement de la molécule...
Modèle 3D Diethylene Glycol Monobutyl Ether, CAS 112-34-5, formule brute C8H18O3, masse molaire 162.23 g/mol

Données transcrites à partir de registres réglementaires et de la littérature spécialisée, avec indication de la source et de l'édition. Elles ne remplacent pas la fiche de données de sécurité du fournisseur. Les champs sans source enregistrée sont signalés comme tels.

📊 Données physicochimiques — CAS 112-34-5MolGod_PROPHUB_MAIN
📊 Propriétés physicochimiques

Aperçu rapide

Formule : C8H18O3
MW : 162.23 g/mol
CAS : 112-34-5
🔬 Propriétés avancées

Identifiants chimiques

SMILES: CCCCOCCOCCO

Dernière mise à jour : non confirmée

Aperçu chimique: Diethylene Glycol Monobutyl EtherMolGod_OVERVIEW_1
Formule bruteC8H18O3[1]
Masse moléculaire162.23 g/mol[1]
LogP (lipophilie)0.6[1]
Nom IUPAC2-(2-butoxyethoxy)ethanol[1]
SMILESCCCCOCCOCCO[1]
InChIKeyOAYXUHPQHDHDDZ-UHFFFAOYSA-N[1]

Synonymes: 2-(2-Butoxyethoxy)ethanol · 112-34-5 · DIETHYLENE GLYCOL MONOBUTYL ETHER · Diethylene glycol butyl ether · Butyl carbitol

Sources de données : PubChem (NLM/NIH)
Dernière mise à jour : 2026-09-02

📚 Références scientifiques (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Formule brute · Masse moléculaire · LogP (lipophilie) · Nom IUPAC · SMILES · InChIKey

RECHERCHE SCIENTIFIQUE

[1]PubMed2023
[An occupational acute poisoning incident of diethylene glycol monobutyl ether].
Ding MZ, Men JL. (2023). "[An occupational acute poisoning incident of diethylene glycol monobutyl ether].". Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi
Accéder à l'étude complète ↗
[2]PubMed2022
Neutral Per- and Polyfluoroalkyl Substances, Butyl Carbitol, and Organic Corrosion Inhibitors in Aqueous Film-Forming Foams: Implications for Vapor…
Titaley IA, Khattak J, Dong J et al.. (2022). "Neutral Per- and Polyfluoroalkyl Substances, Butyl Carbitol, and Organic Corrosion Inhibitors in Aqueous Film-Forming Foams: Implications for Vapor Intru
Accéder à l'étude complète ↗
[3]PubMed2020
Double gloving of disposable nitrile gloves exposed to diethylene glycol mono-n-butyl ether.
Takaku-Pugh S, Que Hee S. (2020). "Double gloving of disposable nitrile gloves exposed to diethylene glycol mono-n-butyl ether.". Journal of occupational and environmental hygiene. https://doi.org/10.
Accéder à l'étude complète ↗
[4]PubMed2016
Bioaugmentation for treatment of full-scale diethylene glycol monobutyl ether (DGBE) wastewater by Serratia sp. BDG-2.
Chen M, Fan R, Zou W et al.. (2016). "Bioaugmentation for treatment of full-scale diethylene glycol monobutyl ether (DGBE) wastewater by Serratia sp. BDG-2.". Journal of hazardous materials. https://d
Accéder à l'étude complète ↗
[5]PubMed2012
Fertility and developmental toxicity studies of diethylene glycol monobutyl ether (DGBE) in rats.
Sitarek K, Gromadzińska J, Lutz P et al.. (2012). "Fertility and developmental toxicity studies of diethylene glycol monobutyl ether (DGBE) in rats.". International journal of occupational medicine an
Accéder à l'étude complète ↗
[6]PubMed2005
Biomonitoring of 2-(2-alkoxyethoxy)ethanols by analysing urinary 2-(2-alkoxyethoxy)acetic acids.
Laitinen J, Pulkkinen J. (2005). "Biomonitoring of 2-(2-alkoxyethoxy)ethanols by analysing urinary 2-(2-alkoxyethoxy)acetic acids.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.09.022
Accéder à l'étude complète ↗
[7]PubMed2005
Diethylene glycol monobutyl ether (DGBE): two- and thirteen-week oral toxicity studies in Fischer 344 rats.
Johnson KA, Baker PC, Kan HL et al.. (2005). "Diethylene glycol monobutyl ether (DGBE): two- and thirteen-week oral toxicity studies in Fischer 344 rats.". Food and chemical toxicology : an internatio
Accéder à l'étude complète ↗
[8]PubMed2005
Effects of diethylene glycol butyl ether and butoxyethoxyacetic acid on rat and human erythrocytes.
Udden MM. (2005). "Effects of diethylene glycol butyl ether and butoxyethoxyacetic acid on rat and human erythrocytes.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.09.021
Accéder à l'étude complète ↗
📚 Références scientifiques (Chicago Author-Date) 11 refs · 1 baz

MOLECULE Bibliographie par CAS (en direct depuis 13+ bases de données)

Sources : db:pubmed (12)

  1. db:pubmed Ding MZ, Men JL. (2023). "[An occupational acute poisoning incident of diethylene glycol monobutyl ether].". Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases. https://doi.org/10.3760/cma.j.cn121094-20220803-00387 →
  2. db:pubmed Titaley IA, Khattak J, Dong J et al.. (2022). "Neutral Per- and Polyfluoroalkyl Substances, Butyl Carbitol, and Organic Corrosion Inhibitors in Aqueous Film-Forming Foams: Implications for Vapor Intrusion and the Environment.". Environmental science & technology. https://doi.org/10.1021/acs.est.2c02349 →
  3. db:pubmed Takaku-Pugh S, Que Hee S. (2020). "Double gloving of disposable nitrile gloves exposed to diethylene glycol mono-n-butyl ether.". Journal of occupational and environmental hygiene. https://doi.org/10.1080/15459624.2020.1759808 →
  4. db:pubmed Sitarek K, Gromadzińska J, Lutz P et al.. (2012). "Fertility and developmental toxicity studies of diethylene glycol monobutyl ether (DGBE) in rats.". International journal of occupational medicine and environmental health. https://doi.org/10.2478/S13382-012-0058-y →
  5. db:pubmed Laitinen J, Pulkkinen J. (2005). "Biomonitoring of 2-(2-alkoxyethoxy)ethanols by analysing urinary 2-(2-alkoxyethoxy)acetic acids.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.09.022 →
  6. db:pubmed Johnson KA, Baker PC, Kan HL et al.. (2005). "Diethylene glycol monobutyl ether (DGBE): two- and thirteen-week oral toxicity studies in Fischer 344 rats.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2004.12.003 →
  7. db:pubmed Udden MM. (2005). "Effects of diethylene glycol butyl ether and butoxyethoxyacetic acid on rat and human erythrocytes.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.09.021 →
  8. db:pubmed Gijsbers JH, Tielemans E, Brouwer DH et al.. (2004). "Dermal exposure during filling, loading and brushing with products containing 2-(2-butoxyethoxy)ethanol.". The Annals of occupational hygiene. https://doi.org/10.1093/annhyg/meh008 →
  9. db:pubmed Berlin K, Johanson G, Lindberg M. (1995). "Hypersensitivity to 2-(2-butoxyethoxy)ethanol.". Contact dermatitis. https://doi.org/10.1111/j.1600-0536.1995.tb00849.x →
  10. db:pubmed Ema M, Itami T, Kawasaki H. (1988). "Teratology study of diethylene glycol mono-n-butyl ether in rats.". Drug and chemical toxicology. https://doi.org/10.3109/01480548808998216 →
  11. db:pubmed Thompson ED, Coppinger WJ, Valencia R et al.. (1984). "Mutagenicity testing of diethylene glycol monobutyl ether.". Environmental health perspectives. https://doi.org/10.1289/ehp.8457105 →
Statut réglementaire de la substance
Cette substance est soumise à des exigences réglementaires : gestion des déchets dangereux (BDO). Détails dans la section « Statut réglementaire (REACH/ECHA/CLP) » et sur la FDS. Information réglementaire — ne restreint pas l'achat dans la boutique.
🧮 Calculateur stœchiométriqueMolGod_STOICH_1
🧪 Données chimiquesMolGod_CHEMDATA_1
Numéro CAS
112-34-5
Formule brute
C8H18O3
Masse molaire
162.23 g/mol
Nom IUPAC (EN)
2-(2-butoxyethoxy)ethanol
SMILES
CCCCOCCOCCO
InChIKey
OAYXUHPQHDHDDZ-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
Temp. wrzenia
231.1
Density
0.954

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

🔍 Identifiants externesMolGod_EXTID_1
12 sur 16 systèmes d'ID75%
Base de donnéesIdentifiantActions
CAS Registry Number112-34-5Ouvrir →
PubChem CID8177[1]Ouvrir →
InChIKeyOAYXUHPQHDHDDZ-UHFFFAOYSA-N[1]Ouvrir →
InChIInChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-…[1]
SMILESCCCCOCCOCCO[1]
EC Number203-961-6[2]Ouvrir →
ChEMBLCHEMBL1904721[3]Ouvrir →
HMDBHMDB0244918Ouvrir →
ChemSpider13839549[4]Ouvrir →
UNII (FDA)9TB90IYC0EOuvrir →
NSC Number (NCI)407762Ouvrir →
WikiData QIDQ1018210Ouvrir →

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

📚 Références scientifiques (Chicago Author-Date) (4 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
  4. 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.

Bibliographie (étendue) (5)

  1. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene glycol monobutyl ether." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3571. lien [consulté: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene glycol monobutyl ether acetate." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3572. lien [consulté: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene Glycol Monobutyl Ether Acetate." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05383. lien [consulté: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene Glycol Monobutyl Ether." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05382. lien [consulté: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2004. "Diethylene Glycol Monobutyl Ether 112‐34‐5." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp08802. lien [consulté: 2026-09-23] CC0 (metadata)
📡 Spectroscopie — CAS 112-34-5MolGod_SPECHUB_MAIN
📊 Spectres (NMR, IR, MS, UV-Vis) (1)

Types de spectres disponibles : IR

Spectre IR (KBr, 4000-400 cm⁻¹)

440 points de données · Source : NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Guide d'interprétation des spectres (pour étudiants)
Comment lire un spectre IR
  • 3200-3600 cm⁻¹ — élongation O-H (pic large = liaison hydrogène)
  • 2850-3000 cm⁻¹ — élongation C-H (sp³)
  • 1650-1750 cm⁻¹ — élongation C=O (cétones, aldéhydes, esters)
  • 1400-1600 cm⁻¹ — vibrations du cycle aromatique
  • 1000-1300 cm⁻¹ — élongation C-O (éthers, alcools)
  • Aucune absorption = aucun groupe fonctionnel → comparer avec une référence

Sources : LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Références scientifiques (Chicago Author-Date) (7 sources)
  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. ↗
Propriétés structurellesMolGod_STRUCT3D_1

Chargement des données structurelles...

❓ Questions fréquentes (10)MolGod_FAQ_1
What is Diethylene Glycol Monobutyl Ether?
Diethylene Glycol Monobutyl Ether (CAS 112-34-5) is a chemical compound with the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. The chemical data comes from PubChem (National Institutes of Health, USA).
Utile ?
What is the CAS number of Diethylene Glycol Monobutyl Ether?
The CAS number for Diethylene Glycol Monobutyl Ether is 112-34-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Utile ?
What is the chemical formula of Diethylene Glycol Monobutyl Ether?
The molecular formula of Diethylene Glycol Monobutyl Ether is C8H18O3. Its molecular weight is 162.23 g/mol.
Utile ?
What is the boiling point of Diethylene Glycol Monobutyl Ether?
The boiling point of Diethylene Glycol Monobutyl Ether is 231.1.
Utile ?
What is the density of Diethylene Glycol Monobutyl Ether?
The density of Diethylene Glycol Monobutyl Ether is 0.954.
Utile ?
What is 112-34-5?
112-34-5 (CAS 112-34-5) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Utile ?
What is the CAS number of 112-34-5?
The CAS number for 112-34-5 is 112-34-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Utile ?
Is Diethylene Glycol Monobutyl Ether hazardous?
Diethylene Glycol Monobutyl Ether carries the GHS classification: Array, Array, Array, Warning, https://pubchem.ncbi.nlm.nih.gov/compound/8177#section=Safety-and-Hazards. Read the safety data sheet before use and follow the handling precautions it states.
Utile ?
How should Diethylene Glycol Monobutyl Ether be stored?
Diethylene Glycol Monobutyl Ether 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.
Utile ?
How should 112-34-5 be stored?
112-34-5 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.
Utile ?
➕ Proposer une question
Télécharger les fichiers de structureMolGod_STRDL_1

Fichiers de structure moléculaire issus de la base PubChem (NIH). Compatibles avec les logiciels : Avogadro, PyMOL, Jmol, ChemDraw.

Source : PubChem, National Library of Medicine (NIH). CID: 8177

🔄 Convertisseur d'unités de concentration LIVE MolGod_UNITCONV_1

Saisissez la concentration Diethylene Glycol Monobutyl Ether dans n'importe quelle unité — le reste sera calculé automatiquement.

MW : 162.23 g/mol · IUPAC Gold Book ↗

⚗️ Formules de conversion + citations (par formule)
ConversionFormulePrécisionSource
% (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)
📚 Bibliographie (8 sources faisant autorité)
  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
Structures moléculaires similairesMolGod_SIMSTR_1

Chargement des structures similaires...

🧪 Assistant de préparation de solution WIZARD MolGod_PREP_1
① Sélectionnez la concentration
② Volume cible
③ Solvant

Calculs selon : IUPAC Gold Book ↗, Merck ↗

Chimie computationnelleMolGod_COMPCHEM_1

Chargement des données de calcul...

🛡️ Sécurité — CAS 112-34-5MolGod_SAFEHUB_MAIN
Avis sur les limitations des données. Les informations de sécurité figurant sur cette page sont fournies à titre indicatif et ne remplacent pas une fiche de données de sécurité (SDS) complète. Avant d'utiliser le produit, consultez la fiche de données de sécurité actuelle du fabricant ainsi que les directives GHS/CLP. La classification CLP s'applique à la substance pure en vrac, et non aux préparations commerciales.

Classification GHS/CLP — Règlement (CE) n° 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Attention (Warning)
GHS07 — Irritant / nocif
GHS07 Irritant / nocif

🚨 Mentions de danger (H)

  • H319 — Provoque une sévère irritation des yeux.

🛡 Conseils de prudence (P)

  • P264 — Se laver … soigneusement après manipulation.
  • P210 — Tenir à l'écart de la chaleur, des surfaces chaudes, des étincelles, des flammes nues et de toute autre source d'inflammation. Ne pas fumer.
  • P260 — Ne pas respirer les poussières/fumées/gaz/brouillards/vapeurs/aérosols.

✓ Classification harmonisée conformément à l'annexe VI du règlement CLP (CE) 1272/2008 (classification officielle, contraignante). Numéro d'index : 603-096-00-8.

Référence (Chicago) : European Chemicals Agency. "2-(2-butoxyethoxy)ethanol; diethylene glycol monobutyl ether, Index No. 603-096-00-8." 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.

Traductions : Règlement CLP (CE) 1272/2008, Annexe III et IV. Données : PubChem/NLM.

📚 Références scientifiques consolidées — Chicago auteur-date 10 sources

Références collectées dans tous les onglets du Safety Hub. CAS : 112-34-5 · 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, Réglementations
  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

Les onglets possédant leurs propres références (Emergency, PPE, Storage, Waste) contiennent des entrées bibliographiques supplémentaires au sein de leurs sections respectives.

📈 Statistiques analytiques (test t · RSD · Grubbs · Q-Dixon) ICH Q2

Collez une série de mesures répétées (CSV ou un nombre par ligne). Le calculateur calculera la moyenne, l'écart-type, l'IC à 95 %, et détectera les valeurs aberrantes (Grubbs + Dixon Q).

Séparateur : virgule, espace, tabulation, nouvelle ligne. Min. 3 mesures.
📐 Formules statistiques
  • x̄ = Σxᵢ / n — moyenne arithmétique
  • s² = Σ(xᵢ - x̄)² / (n-1) — variance de l'échantillon
  • s = √s² — écart-type
  • RSD% = (s / x̄) × 100% — écart-type relatif
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test de Grubbs
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Calculateur de recettes de tampons UNIQUE
Références : Valeurs de pKa issues de Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Choisissez un tampon dans la liste de 20 systèmes courants → saisissez le pH cible → vous obtiendrez une recette exacte avec les masses à peser.

Étape 1 : Choisissez un système tampon

📜 Historique des recettes (10 dernières)
Statut pharmacologique

Prekliniczny

Phase I
Phase II
Phase III
Approuvé

Préclinique — aucune donnée issue d'études sur l'homme.

ChEMBL CHEMBL1904721 ↗

Bibliographie (étendue) (5)

  1. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene glycol monobutyl ether." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3571. lien [consulté: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene glycol monobutyl ether acetate." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3572. lien [consulté: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene Glycol Monobutyl Ether Acetate." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05383. lien [consulté: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene Glycol Monobutyl Ether." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05382. lien [consulté: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2004. "Diethylene Glycol Monobutyl Ether 112‐34‐5." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp08802. lien [consulté: 2026-09-23] CC0 (metadata)
📅 Project Planner — Gestionnaire d'expériences de laboratoire NOUVEAU

Planifiez l'ensemble de votre projet de laboratoire : ajoutez des expériences avec réactifs, réplicats et durée. Vous obtiendrez un diagramme de Gantt, une liste d'achats (avec des liens vers la boutique !), un budget avec une marge de 10 % et une matrice de risques GHS.

🧪 Solubilité et compatibilité avec les solvants MolGod_SOLUB_1
Molécule
Diethylene Glycol Monobutyl Ether
Formule
C8H18O3
logP (XLogP3)
0.60
Masse (g/mol)
162.23
Polarité
Modérée

⚠️ Estimation GC (Hoftyzer-Van Krevelen). Aucune donnée HSP de la littérature pour ce CAS — précision ±2 MPa½. À vérifier expérimentalement.

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.
📚 Références scientifiques pour les solvants (Chicago Author-Date) — cliquez pour développer

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
Théorie de la solubilité (appliquée à la prédiction de la compatibilité) :
  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 — Triplet HSP (dD, dP, dH) + formule 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 — Ensemble tabulaire complet de 250+ solvants (ε, μ, donicité, nombres accepteurs).
  8. PubChem Compound Database — CAS 112-34-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Bibliographie complète dans l'accordéon RÉFÉRENCES (en bas de la page) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Vérifier la compatibilité de la réaction MolGod_RXNCOMP_1
1 0 0
Santé : 1/4
Inflammabilité : 0/4
Réactivité : 0/4
Selon NFPA 704 / calculé à partir des codes H

Vérifiez si Diethylene Glycol Monobutyl Ether est compatible avec un autre réactif

📦 Matrice de compatibilité de stockage
Acides Bases Oxydants Inflammable Toxique Gazy
Acides ✓ ✗ ✗ ✗ ⚠ ✗
Bases ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxydants ✗ ⚠ ✓ ✗ ⚠ ✗
Inflammable ✗ ⚠ ✗ ✓ ⚠ ✗
Toxique ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Stockage commun possible · ⚠ Prudence · ✗ NE PAS stocker ensemble · OSHA Chemical Segregation ↗

Données de compatibilité issues de : Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Calculateurs de laboratoire (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarité (M=n/V)
Tampon pH (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masse → Moles
Concentration % → M
ppm → mg/L
Température C↔F↔K

Formules vérifiées : IUPAC Gold Book ↗, DOI ↗

📊 Bases de spectres spectroscopiques MolGod_SPECDB_3
📋 Générateur de protocole de laboratoire MolGod_PROTOCOL_1

Protocole généré à partir de : GHS SDS, Aldrich Lab Guide ↗

🏷️ Générateur d'étiquette (QR) MolGod_LABEL_1
Diethylene Glycol Monobutyl Ether• 2-(2-Butoxyethoxy)ethanol / Butyl carbitol• IUPAC: 2-(2-butoxyethoxy)ethanol• CAS: 112-34-5• EC: 203-961-6• Formule: C8H18O3• Masse: 162.23 g/molATTENTIONMENTIONS DE DANGER GHS :H319P210 P260 P264Réservé à un usage en laboratoire !Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)
Chargement des prédictions ADMET…
🧪 Assistant de préparation de solution (Smart Prep) MolGod_PREP_2

Saisissez ce que vous souhaitez préparer — je générerai un SOP

Exemples ci-dessous — cliquez pour insérer :
Recettes prédéfinies :
📚 Aperçu de la littérature scientifique — CAS 112-34-5MolGod_LITHUB_MAIN
⭐ Principales découvertes (littérature scientifique) 5 publications
🏆 CAS 112-34-5 — multi-criteria ranking (W12): 30% citations · 20% actualité · 20% thème · 15% historique · 15% open access.
  1. #1
    Wieslander G; Norbäck D; Lindgren T (2001) · Occupational and environmental medicine
    Pourquoi c'est important : Citation obligatoire (canon) · 153 citations
    SCORE 6.56 Mécanisme MUST-CITE Citations: 153 DOI ↗
  2. #2
    Ding MZ, Men JL (2023) · Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases
    Pourquoi c'est important : Récente (2023)
    SCORE 3.9 Mécanisme DOI ↗ PubMed ↗
  3. #3
    Titaley IA, Khattak J, Dong J et al. (2022) · Environmental science & technology
    Pourquoi c'est important : Sélectionné par un score multicritère (citations + actualité + thème + historique + OA).
    SCORE 3.6 Mécanisme DOI ↗ PubMed ↗
  4. #4
    Thompson ED, Coppinger WJ, Valencia R et al. (1984) · Environmental health perspectives
    Pourquoi c'est important : Open access
    SCORE 2.25 Mécanisme Open Access DOI ↗ PubMed ↗
  5. #5
    Johnson KA, Baker PC, Kan HL et al. (2005) · Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
    Pourquoi c'est important : Sélectionné par un score multicritère (citations + actualité + thème + historique + OA).
    SCORE 0 Pharmacologie DOI ↗ PubMed ↗
🔬 HPLC — méthodes et paramètres — CAS 112-34-5MolGod_HPLCHUB_MAIN
📈 Gradient HPLC — optimiseur (LSS) MODÈLE

Gradient basé sur PubChem XLogP3 + LSS (Snyder et al. 2010, chap. 9).

  • Colonne: C18
  • Tampon: phosphate
  • Débit: 1 mL/min
  • logP: 0.6 (PubChem XLogP3)
  • Rampe: 10% → 95% B, 10 min
  • Temps d'analyse total: 23 min
t (min) %A %B flow (mL/min) Commentaire
0 90 10 1 début (équilibre)
2 90 10 1 fin du palier initial
12 5 95 1 fin de la rampe LSS
17 5 95 1 lavage de la colonne
18 90 10 1 retour à init
23 90 10 1 rééquilibrage
📚 Références scientifiques (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/112-34-5

📐 Dimensions de la colonne — calculateur de van Deemter N=12,466

Formule : 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).

Dimensions150 × 4.6 mm, 5 µm
Plateaux théoriques (N)12,466
N à u_opt12,500
HETP (actuelle)12.032 µm
Min. HETP12 µm
Vitesse linéaire (u)0.1003 cm/s
u_opt (van Deemter)0.12 cm/s
Contre-pression (ΔP)42.1 bar
Temps d'analyse (volume mort)2.49 min
📚 Références scientifiques (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/112-34-5

🧪 Phase mobile — matrice de compatibilité MISCIBLE
Composant Nom Coupure UV (nm) P' Détecteurs
Solv. Acetonitrile (MeCN) 190 5.8 UV, MS, ELSD, RID, FLD
Solv. Water 190 10.2 UV, MS, ELSD, RID, FLD
Tampon Phosphate (KH2PO4 / K2HPO4) 195 pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5 MS ✗

Détecteur: UV — compatible avec les deux solvants.

📚 Références scientifiques (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=...

Guide complet de la méthode HPLC Évalué par les pairs

Scénarios spécifiques à la molécule, dépannage et références bibliographiques

Molecular Predictor

Predicted parameters for this molecule (CAS 112-34-5) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
2.7 min
Range: 1.89 – 3.51
confidence: medium
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
= 3.082 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
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
20 μL
confidence: medium
Smaller volume for larger molecules (avoiding peak broadening)

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

Vrai problème de chimiste

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?

Comment nous résolvons cela

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

Calculateur interactif

Deep Education

Comprendre la chimie de la phase mobile

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: —

Questions fréquemment posées

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

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=162.23, CAS 112-34-5) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

Peak tailing ruined my results

I ran the method exactly as written. Main peak Tf = 2.8 (should be <1.5). Integration impossible. I repeated it 6× — always tailing.
Lesson learned (Anna K., PhD student, Warszawa, 2024-03):
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.

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.

Questions fréquemment posées

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

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

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

Source: Snyder Seminar

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

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

Questions fréquemment posées

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=162.23 (CAS 112-34-5) 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 gradient — what to do step by step

You click Method Editor and see 10 empty time/%B rows. Where to start? How many points to enter?

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

DAD drift podczas 16h sequence

Baseline drift 15 mAU/h. 150 injections in the sequence, with a 7% bias for the peaks towards the end. How to eliminate it?

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: Gibson CR, Brown CM (2003) 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

Questions fréquemment posées

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

Source: USP Online

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

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 2-(2-butoxyethoxy)ethanol (CAS 112-34-5) 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

Prep Mistakes That Ruined The Run

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?

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

Analyse post-incident — véritables histoires d'échec Enseignements tirés

Véritables mésaventures de chimistes — ce qui s'est passé, ce qui a aidé, ce qu'il faut éviter.

FDA finding — audit trail disabled

Director of QC, pharma 2025-11-04 Poziom 5/5
Ce qui s'est passé :

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

💡 Lekcja:

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

Incorrect integration — publication rejected

Kasia M., PhD Analytical Chemistry, UJ 2025-06-03 Poziom 4/5
Ce qui s'est passé :

Submission to JPBA. Reviewer 2: „Peak at 12.4 min shows manual integration, but baseline slope suggests co-elution". I had to revalidate the whole method. 3 months of delay.

💡 Lekcja:

Manual integration = a red flag for reviewers. Solve CO-ELUTION in methods dev, not in integration. Optimise the gradient instead of force-fitting the peak.

Bibliographie et références

[1]
Gibson CR, Brown CM. (2003). Identification of diethylene glycol monobutyl ether as a source of contamination in an ion trap mass spectrometer.. Journal of the American Society for Mass Spectrometry, 14, 1247-9. https://doi.org/10.1016/S1044-0305(03)00534-8.
DOI PubMed

Ask about this method

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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 112-34-5). 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
Dipropylene glycol monomethyl ether
Ta sama kategoria · Ta sama kategoria produktu
Triethylene glycol monobutyl ether
Ta sama kategoria · Ta sama kategoria produktu
Dipropylene glycol dimethyl ether
Ta sama kategoria · Ta sama kategoria produktu
📄 Certificats d'analyse (CoA) CAS 112-34-5 aucun MolGod_COA_2

Aucun certificat pour ce produit dans la base de données.

📚 Références scientifiques (Chicago Author-Date) — cliquez pour développer

Normes de gestion des lots et de certification en laboratoire — 13 sources indépendantes (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. [lien ↗] — 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. [lien ↗] — 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. [lien ↗] — 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. [lien ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [lien ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [lien ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [lien ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [lien ↗] — 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. [lien ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [lien ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [lien ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [lien ↗] — 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. [lien ↗] — Excipient-grade CoA standard for non-API ingredients
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📚 Références (Chicago Author-Date) — cliquez pour développer
  1. Anonymous. 2007. "Diethylene glycol monobutyl ether." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3571.
  2. Anonymous. 2007. "Diethylene glycol monobutyl ether acetate." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3572.
  3. Anonymous. 2007. "Diethylene Glycol Monobutyl Ether Acetate." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05383.
  4. Anonymous. 2007. "Diethylene Glycol Monobutyl Ether." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05382.
  5. Anonymous. 2004. "Diethylene Glycol Monobutyl Ether 112‐34‐5." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp08802.
  6. Ding MZ, Men JL. (2023). "[An occupational acute poisoning incident of diethylene glycol monobutyl ether].". Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases. https://doi.org/10.3760/cma.j.cn121094-20220803-00387
  7. Titaley IA, Khattak J, Dong J et al.. (2022). "Neutral Per- and Polyfluoroalkyl Substances, Butyl Carbitol, and Organic Corrosion Inhibitors in Aqueous Film-Forming Foams: Implications for Vapor Intrusion and the Environment.". Environmental science & technology. https://doi.org/10.1021/acs.est.2c02349
  8. Takaku-Pugh S, Que Hee S. (2020). "Double gloving of disposable nitrile gloves exposed to diethylene glycol mono-n-butyl ether.". Journal of occupational and environmental hygiene. https://doi.org/10.1080/15459624.2020.1759808
  9. Sitarek K, Gromadzińska J, Lutz P et al.. (2012). "Fertility and developmental toxicity studies of diethylene glycol monobutyl ether (DGBE) in rats.". International journal of occupational medicine and environmental health. https://doi.org/10.2478/S13382-012-0058-y
  10. Laitinen J, Pulkkinen J. (2005). "Biomonitoring of 2-(2-alkoxyethoxy)ethanols by analysing urinary 2-(2-alkoxyethoxy)acetic acids.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.09.022
  11. Johnson KA, Baker PC, Kan HL et al.. (2005). "Diethylene glycol monobutyl ether (DGBE): two- and thirteen-week oral toxicity studies in Fischer 344 rats.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2004.12.003
  12. Udden MM. (2005). "Effects of diethylene glycol butyl ether and butoxyethoxyacetic acid on rat and human erythrocytes.". Toxicology letters. https://doi.org/10.1016/j.toxlet.2003.09.021
  13. Gijsbers JH, Tielemans E, Brouwer DH et al.. (2004). "Dermal exposure during filling, loading and brushing with products containing 2-(2-butoxyethoxy)ethanol.". The Annals of occupational hygiene. https://doi.org/10.1093/annhyg/meh008
  14. Berlin K, Johanson G, Lindberg M. (1995). "Hypersensitivity to 2-(2-butoxyethoxy)ethanol.". Contact dermatitis. https://doi.org/10.1111/j.1600-0536.1995.tb00849.x
  15. Ema M, Itami T, Kawasaki H. (1988). "Teratology study of diethylene glycol mono-n-butyl ether in rats.". Drug and chemical toxicology. https://doi.org/10.3109/01480548808998216
  16. Thompson ED, Coppinger WJ, Valencia R et al.. (1984). "Mutagenicity testing of diethylene glycol monobutyl ether.". Environmental health perspectives. https://doi.org/10.1289/ehp.8457105
  17. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  18. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  19. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  20. 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.
  21. 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.
  22. 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.
  23. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  24. 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.
  25. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  26. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  27. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  28. 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/112-34-5?status=active&limit=10

Bibliographie (étendue) (5)

  1. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene glycol monobutyl ether." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3571. lien [consulté: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene glycol monobutyl ether acetate." Encyclopedic Dictionary of Polymers: 289-289. https://doi.org/10.1007/978-0-387-30160-0_3572. lien [consulté: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene Glycol Monobutyl Ether Acetate." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05383. lien [consulté: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2007. "Diethylene Glycol Monobutyl Ether." Hawley's Condensed Chemical Dictionary: 419-419. https://doi.org/10.1002/9780470114735.hawley05382. lien [consulté: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 LIBRE ❓ non vérifié Anonymous. 2004. "Diethylene Glycol Monobutyl Ether 112‐34‐5." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp08802. lien [consulté: 2026-09-23] CC0 (metadata)
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📚 RÉFÉRENCES (Bibliographie agrégée, Chicago Author-Date) 121 éléments

Toutes les sources scientifiques citées dans les accordéons ci-dessus pour le CAS 112-34-5. Format : Chicago Manual of Style, 17e éd., système Auteur-Date.

🗄️ Bases de données scientifiques

  1. NIST. n.d. NIST Chemistry WebBook: CAS 112-34-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=112-34-5.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 112-34-5. 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 112-34-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=112-34-5.

📐 Normes / Lignes directrices

  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.

📖 Livres

  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.

📄 Articles scientifiques (évalués par les pairs)

  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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  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
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