methyl 2-hydroxyacetate

• ChemBase ID: 79412
• Molecular Formular: C3H6O3
• Molecular Mass: 90.07794
• Monoisotopic Mass: 90.03169405
• SMILES: O=C(OC)CO
• Canonical SMILES: COC(=O)CO
• InChI: InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3
• InChIKey: GSJFXBNYJCXDGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-hydroxyacetate
• IUPAC Traditional name: methyl 2-hydroxyacetate
• Synonyms: Methyl glycolate; methyl 2-hydroxyacetate; Methyl 2-hydroxyacetate; Methyl glycolate; Glycolic acid methyl ester; Methyl hydroxyacetate; 乙醇酸甲酯; 羟乙酸甲酯

Database IDs

• CAS Number: 96-35-5
• EC Number: 202-502-7
• MDL Number: MFCD00004667
• Beilstein Number: 1699571
• PubChem SID: 24859497; 162044175; 24873383
• PubChem CID: 66774

CALCULATED PROPERTIES

• Acid pKa: 13.12943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8946997
• LogD (pH = 7.4): -0.8947005
• Log P: -0.8946997
• Molar Refractivity: 19.115 cm^3
• Polarizability: 7.769861 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 149-151 °C(lit.); 149-151°C; 150-151°C
• Flash Point: 152.6 °F; 67 °C; 67°C; 67°C(152°F)
• Density: 1.167 g/mL at 25 °C(lit.); 1.184
• Refractive Index: 1.4170; n20/D 1.417; n20/D 1.417(lit.)
• Vapor Pressure: 17 mmHg ( 52 °C)
• Vapor Density: 3.12 (vs air)
• Hydrophobicity(logP): -0.507

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥97.0% (GC); 95%; 95+%; 97%; 98%
• Grade: purum
• Linear Formula: HOCH2CO2CH3

DETAILS

MP Biomedicals - 05213494

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 325260

Packaging
5, 25 g in glass bottle