ethyl 2-methoxyacetate

• ChemBase ID: 87032
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: O=C(OCC)COC
• Canonical SMILES: COCC(=O)OCC
• InChI: InChI=1S/C5H10O3/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
• InChIKey: JLEKJZUYWFJPMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methoxyacetate
• IUPAC Traditional name: ethyl 2-methoxyacetate
• Synonyms: Ethyl methoxyacetate; Ethyl methoxyacetate; Methoxyacetic acid ethyl ester; 甲氧基乙酸乙酯

Database IDs

• CAS Number: 3938-96-3
• EC Number: 223-521-7
• MDL Number: MFCD00009176
• Beilstein Number: 1744761
• PubChem SID: 24883561; 162074148; 24853916
• PubChem CID: 77544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.10523476
• LogD (pH = 7.4): 0.10523476
• Log P: 0.10523476
• Molar Refractivity: 28.6148 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

• Boiling Point: 44-45.5 °C/9 mmHg(lit.); 44-46°C/9mm
• Flash Point: 114.8 °F; 46 °C; 46°C(115°F)
• Density: 1.00; 1.007 g/mL at 25 °C(lit.)
• Refractive Index: 1.401; n20/D 1.401; n20/D 1.401(lit.)

Safety Information

• Storage Warning: Flammable
• UN Number: 3272; UN3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10
• Safety Statements: 7-33-60
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-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 3272 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: CH3OCH2COOC2H5

DETAILS

Sigma Aldrich - 232599

Packaging
10, 50 g in glass bottle