2-ethoxyethyl acetate

• ChemBase ID: 150946
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: CCOCCOC(=O)C
• Canonical SMILES: CCOCCOC(=O)C
• InChI: InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
• InChIKey: SVONRAPFKPVNKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyethyl acetate
• IUPAC Traditional name: ethoxyethylacetate
• Synonyms: 1-Acetoxy-2-ethoxyethane; Cellosolve® acetate; Ethylene glycol monoethyl ether acetate; 2-Ethoxyethyl acetate; 2-Ethoxyethyl acetate; Cellosolve acetate; 1-乙酰氧基-2-乙醚; Cellosolve® 醋酸酯; 乙二醇单乙醚乙酸酯; 2-乙氧基乙酸乙酯; 2-乙氧基乙基乙酸酯

Database IDs

• CAS Number: 111-15-9
• EC Number: 203-839-2
• MDL Number: MFCD00009251
• Beilstein Number: 1748677
• Merck Index: 143751
• PubChem SID: 162245105; 24845082; 24846949
• PubChem CID: 8095

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.23238079
• LogD (pH = 7.4): 0.23238079
• Log P: 0.23238079
• Molar Refractivity: 33.2049 cm^3
• Polarizability: 13.281858 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -61 °C(lit.); -62°C
• Boiling Point: 155-157°C; 156 °C(lit.)
• Flash Point: 129.2 °F; 52°C(126°F); 54 °C
• Auto Ignition Point: 715 °F
• Density: 0.975; 0.975 g/mL at 25 °C(lit.)
• Refractive Index: 1.4070; n20/D 1.403-1.409; n20/D 1.406; n20/D 1.406(lit.)
• Vapor Pressure: 2 mmHg ( 20 °C)
• Vapor Density: 4.6 (vs air)

Safety Information

• RTECS: KK8225000
• European Hazard Symbols: Toxic (T)
• UN Number: 1172; UN1172
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 60-61-10-20/21/22
• Safety Statements: 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• Explode Limits: 13 %
• GHS Hazard statements: H226-H302-H312-H332-H360FD; H360-H226-H302-H312-H332
• 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 1172 3/PG 3

Product Information

• Purity: ≥96.0% (GC); ≥98.0%; 95+%; 98%; 98+%
• Grade: purum; SAJ first grade
• Linear Formula: CH3COOCH2CH2OC2H5

DETAILS

Sigma Aldrich - 109967

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

Sigma Aldrich - 00820

Legal Information
Cellosolve is a registered trademark of Union Carbide

Sigma Aldrich - 09-1700

Legal Information
Cellosolve is a registered trademark of Union Carbide