2-methoxyethan-1-ol

• ChemBase ID: 2519
• Molecular Formular: C3H8O2
• Molecular Mass: 76.09442
• Monoisotopic Mass: 76.0524295
• SMILES: COCCO
• Canonical SMILES: COCCO
• InChI: InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
• InChIKey: XNWFRZJHXBZDAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethan-1-ol
• IUPAC Traditional name: 2-methoxyethanol
• Synonyms: 2-Methoxyethanol, Spectrophotometric Grade; 2-Methoxyethanol, ACS; Methyl-cellosolve; 2-Methoxyethanol; Methyl glycol; ETHYLENE GLYCOL MONOMETHYL ETHER; Ethylene glycol monomethyl ether; EGME; Methyl Cellosolve; 2-Methoxyethanol; 2-Methoxyethanol; 2-Methoxyethanol, Methyl-cellosolve; ETHYLENE GLYCOL MONOMETHYL ETHER, ACS GRADE; 2-甲氧基乙醇, 光谱级; 2-甲氧基乙醇, ACS; 乙二醇单甲醚; 甲基乙二醇; 甲基溶纤剂®; 2-甲氧基乙醇

Database IDs

• CAS Number: 109-86-4
• EC Number: 203-713-7
• MDL Number: MFCD00002867
• Beilstein Number: 1731074
• Merck Index: 146038
• PubChem SID: 24883515; 24862167; 24860240; 24857158; 24856377; 46505885; 160965969; 24851142; 24889150
• PubChem CID: 8019
• CHEBI ID: 46790
• CHEMBL: 444144
• Chemspider ID: 7728
• DrugBank ID: DB02806
• KEGG ID: D05554
• Unique Ingredient Identifier: EK1L6XWI56
• Wikipedia Title: 2-Methoxyethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.122039
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5655526
• LogD (pH = 7.4): -0.5655526
• Log P: -0.5655526
• Molar Refractivity: 19.3048 cm^3
• Polarizability: 7.6015577 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.78
• LOG S: 1.03
• Solubility (Water): 8.12e+02 g/l

PROPERTIES

Physical Property

• Solubility: 1000 mg/mL at 25 oC [DOW CHEMICAL COMPANY (1981)]; Miscible with water, alcohol, glycerol, ether, acetone, DMF
• Apperance: APHA: ≤10; Liquid
• Melting Point: -85 °C; -85 °C(lit.); -85 °C; -85°C
• Boiling Point: 124-125 °C; 124-125 °C(lit.); 124–125 °C; 124-125°C; -85 °C
• Flash Point: 104 °F; 37 °C (DIN 51 755); 40 °C; 46°C(115°F)
• Auto Ignition Point: 310 °C; 548 °F
• Density: .964 - .966 g/cm^3 at 20 °C; 0.965; 0.965 g/cm^3; 0.965 g/mL at 25 °C(lit.); 0.966-0.968 g/mL at 20 °C
• Refractive Index: 1.4025; n20/D 1.4010-1.4030; n20/D 1.402; n20/D 1.402(lit.); n20/D 1.403
• Vapor Pressure: 6.17 mmHg ( 20 °C); 8.1 hPa at 20 °C
• Vapor Density: 2.62 (air = 1); 2.62 (vs air)
• Absorption Wavelength: λ: 213 nm Amax: 1.00; λ: 240 nm Amax: 0.20; λ: 260 nm Amax: 0.05; λ: 300-400 nm Amax: 0.01
• Hydrophobicity(logP): -0.77 [HANSCH,C ET AL. (1995)]

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: KL5775000
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1188; UN1188
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 2Y
• Risk Statements: 60-61-10-20/21/22; 60-61-10-20/21/22.1; R:10-20/21/22-60-61
• Safety Statements: 53.1-45; 53-45; S:16-45-53
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 127
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  2

  3

  2
• Explode Limits: 24.5 %
• GHS Hazard statements: H226-H302-H312-H332-H360FD; H360-H226-H302-H312-H332; H360-H226-H312-H332-H303
• GHS Precautionary statements: P201-P280-P308 + P313; P210-P241-P303+P361+P353-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1188 3/PG 3

Product Information

• Purity: ≥99.0%; ≥99.0% (GC); ≥99.3%; ≥99.5% (GC); ≥99.9%; ≥99.9% (GC); 99%; 99% min; 99.3+%; 99.8%
• Grade: ACS; ACS reagent; analytical standard; anhydrous; CHROMASOLV®; for amino acid analysis; for HPLC; JIS special grade; puriss. p.a.; purum; ReagentPlus®; SAJ first grade; spectrophotometric grade
• Suitability: in accordance for suitability for amino acid analysis (as solvent for ninhydrin dyeing reagent); suitable for amino acid analysis
• Evaporation Residue: <0.0005%; <0.001%; ≤0.003%
• Impurities: <0.005% water; <0.020% water; <0.050% water; ≤0.0003% peroxides (as H2O2); ≤0.001% acetaldehyde; ≤0.001% formaldehyde; ≤0.002 meq/g free acid (as CH3COOH); ≤0.002 meq/g Titr. acid; ≤0.002% non-volatile matter; ≤0.002% peroxides (as H2O2); ≤0.005% free acid (as CH3COOH); ≤0.1% water; ≤0.1% water (Karl Fischer); ≤0.100% water
• Cation Traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Fe: ≤0.4 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Contains: ~0.0005% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~0.01% 2,6-di-tert-butyl-4-methylphenol as stabilizer; 50 ppm BHT as stabilizer
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: glass distillation
• λ: H2O reference
• Linear Formula: CH3OCH2CH2OH

DETAILS

MP Biomedicals - 02102314

Suitable solvent for ninhydrin color reagent.
1 ml = approx. 0.96 g

DrugBank - DB02806

• Drug Groups: experimental
• External Links: Wikipedia

Sigma Aldrich - 64719

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 156205

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 64730

Other Notes
Sales restrictions may apply

Sigma Aldrich - 33457

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 360503

Packaging
1, 2.5, 4×4 L in glass bottle
20 L in steel drum
500 mL in glass bottle

Sigma Aldrich - 09-1710

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 185469

Packaging
20 L in steel drum
500 mL in glass bottle
4 L in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 09-1730

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 270482

Packaging
1, 2 L in glass bottle
100 mL in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 09-1720

法律信息
Cellosolve 注册商标 Union Carbide

Sigma Aldrich - 284467

Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 88907

法律信息
Cellosolve 注册商标 Union Carbide