2-methoxyethyl acetate

• ChemBase ID: 156700
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: CC(=O)OCCOC
• Canonical SMILES: COCCOC(=O)C
• InChI: InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
• InChIKey: XLLIQLLCWZCATF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl acetate
• IUPAC Traditional name: 2-methoxyethyl acetate
• Synonyms: 1-Acetoxy-2-methoxyethane; Ethylene glycol monomethyl ether acetate; Methyl Cellosolve® acetate; 2-Methoxyethyl acetate; 1-乙酰氧基-2-甲氧基乙烷; 乙二醇一甲醚乙酸酯; 甲基溶纤剂®乙酸酯; 2-甲氧基乙基乙酸酯

Database IDs

• CAS Number: 110-49-6
• EC Number: 203-772-9
• MDL Number: MFCD00008719
• Beilstein Number: 1700761
• PubChem SID: 162250837; 24846944; 24858661
• PubChem CID: 8054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.12442717
• LogD (pH = 7.4): -0.12442717
• Log P: -0.12442717
• Molar Refractivity: 28.4563 cm^3
• Polarizability: 11.458225 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -65 °C(lit.)
• Boiling Point: 145 °C(lit.)
• Flash Point: 114.8 °F; 46 °C
• Density: 1.009 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.402; n20/D 1.402(lit.)
• Absorption Wavelength: λ: 254 nm Amax: 1.00; λ: 275 nm Amax: 0.15; λ: 300 nm Amax: 0.05; λ: 350-400 nm Amax: 0.01

Safety Information

• RTECS: KL5950000
• European Hazard Symbols: Toxic (T)
• UN Number: 1189
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 60-61-20/21/22
• Safety Statements: 53-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H332-H360FD
• GHS Precautionary statements: P201-P280-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1189 3/PG 3

Product Information

• Purity: ≥97.0% (GC); ≥99%; 98%
• Grade: CHROMASOLV®; for HPLC; purum; reagent grade
• Evaporation Residue: <0.0005%
• Impurities: <0.050% water
• Purified By: glass distillation
• λ: H2O reference
• Linear Formula: CH3COOCH2CH2OCH3

DETAILS

Sigma Aldrich - 00860

Legal Information
Cellosolve is a registered trademark of Union Carbide

Sigma Aldrich - 308269

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

Sigma Aldrich - 109886

Packaging
1, 4 L in glass bottle
Legal Information
Cellosolve is a registered trademark of Union Carbide