ethyl 2-ethoxyacetate

• ChemBase ID: 145713
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: CCOCC(=O)OCC
• Canonical SMILES: CCOCC(=O)OCC
• InChI: InChI=1S/C6H12O3/c1-3-8-5-6(7)9-4-2/h3-5H2,1-2H3
• InChIKey: CKSRFHWWBKRUKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxyacetate
• IUPAC Traditional name: ethyl 2-ethoxyacetate
• Synonyms: Diethyl glycolate; Ethyl ethoxyacetate; Ethyl 2-ethoxyacetate; 乙二醇乙醚乙酸酯; 乙氧基乙酸乙酯

Database IDs

• CAS Number: 817-95-8
• EC Number: 212-447-0
• MDL Number: MFCD00040492
• Beilstein Number: 1749545
• PubChem SID: 162239916; 24845373; 24863285
• PubChem CID: 69955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.46204272
• LogD (pH = 7.4): 0.46204272
• Log P: 0.46204272
• Molar Refractivity: 33.3634 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

• Boiling Point: 156 °C(lit.)
• Flash Point: 122 °F; 50 °C
• Density: 0.975 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.402(lit.); n20/D 1.403

Safety Information

• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: ≥97.5% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: CH3CH2OCH2COOCH2CH3

DETAILS

Sigma Aldrich - 374172

Packaging
10, 50 g in glass bottle