ethyl 2-hydroxyacetate

• ChemBase ID: 145376
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: CCOC(=O)CO
• Canonical SMILES: CCOC(=O)CO
• InChI: InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3
• InChIKey: ZANNOFHADGWOLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-hydroxyacetate
• IUPAC Traditional name: ethyl 2-hydroxyacetate
• Synonyms: Ethyl glycolate; Ethyl 2-hydroxyacetate; Ethyl hydroxyacetate; Glycolic acid ethyl ester; 乙醇酸乙酯

Database IDs

• CAS Number: 623-50-7
• EC Number: 210-798-4
• MDL Number: MFCD00021970
• PubChem SID: 162239582; 24862461
• PubChem CID: 12184

CALCULATED PROPERTIES

• Acid pKa: 13.128312
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.53789175
• LogD (pH = 7.4): -0.5378926
• Log P: -0.53789175
• Molar Refractivity: 23.8636 cm^3
• Polarizability: 9.575006 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 158-159 °C(lit.); 158-159°C
• Flash Point: 143.6 °F; 61°C(143°F); 62 °C
• Density: 1.1 g/mL at 25 °C(lit.); 1.10
• Refractive Index: 1.4190; n20/D 1.419(lit.)

Safety Information

• RTECS: MC5410000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H315-H319-H335
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Linear Formula: HOCH2CO2C2H5

DETAILS

Sigma Aldrich - 364843

Application
Important building block for the preparation of medicinal compounds and agrochemicals.1
Packaging
5, 25 g in glass bottle