methyl 2-hydroxypropanoate

• ChemBase ID: 110039
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: COC(=O)C(C)O
• Canonical SMILES: COC(=O)C(O)C
• InChI: InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
• InChIKey: LPEKGGXMPWTOCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-hydroxypropanoate
• IUPAC Traditional name: methyl 2-hydroxypropanoate
• Synonyms: Methyl DL-lactate; DL-Lactic acid methyl ester; METHYL LACTATE; DL-乳酸甲酯

Database IDs

• CAS Number: 547-64-8
• EC Number: 208-930-0
• MDL Number: MFCD00066367
• Beilstein Number: 1720586
• PubChem SID: 24885982; 162095850
• PubChem CID: 11040

CALCULATED PROPERTIES

• Acid pKa: 13.000628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32593548
• LogD (pH = 7.4): -0.32593656
• Log P: -0.32593545
• Molar Refractivity: 23.6089 cm^3
• Polarizability: 9.575006 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 123.8 °F; 51 °C; 51°C(124°F)
• Density: 1.093; 1.093 g/mL at 20 °C(lit.)
• Refractive Index: 1.413; n20/D 1.413

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: OD5670000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272; UN3272
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37; R:10-36/37
• Safety Statements: 24; S:24
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 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); 99%
• Linear Formula: CH3CH(OH)COOCH3

DETAILS

MP Biomedicals - 05213491

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 69822

Packaging
5, 25 mL in glass bottle