methyl (2R)-2-hydroxypropanoate

• ChemBase ID: 104222
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: COC(=O)[C@@H](C)O
• Canonical SMILES: COC(=O)[C@H](O)C
• InChI: InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1
• InChIKey: LPEKGGXMPWTOCB-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2-hydroxypropanoate
• IUPAC Traditional name: methyl (2R)-2-hydroxypropanoate
• Synonyms: D-Lactic acid methyl ester; Methyl (R)-(+)-lactate; (+)-Methyl D-lactate; (2R)-2-Hydroxypropanoic Acid Methyl Ester; (+)-2-Hydroxypropionic Acid Methyl Ester; (+)-Lactic Acid Methyl Ester; (+)-Methyl 2-Hydroxypropionate; (+)-Methyl Lactate; (R)-Methyl Lactate; D-Methyl Lactate; Methyl (2R)-2-Hydroxypropanoate; Methyl (R)-2-Hydroxypropanoate; Methyl (R)-2-Hydroxypropionate; Methyl (R)-Lactate; Methyl D-(+)-Lactate; Methyl D-lactate; D-LACTIC ACID METHYL ESTER; Methyl D-lactate; (R)-(+)-乳酸甲酯; D-乳酸甲酯; D-(+)-乳酸甲酯; D-乳酸甲酯; R-乳酸甲酯

Database IDs

• CAS Number: 17392-83-5
• EC Number: 241-420-6
• MDL Number: MFCD00004517
• PubChem SID: 24856785; 162092453
• PubChem CID: 637514

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

• Boiling Point: 144-145 °C(lit.)
• Flash Point: 120.2 °F; 49 °C
• Density: 1.09 g/ml; 1.09 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.413(lit.)
• Optical Rotation: [α]21/D +8.4°, neat

Safety Information

• Storage Condition: 2-8°C, Desiccate
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37; R:10-36/37
• Safety Statements: 24; S:24
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H319-H335
• GHS Precautionary statements: 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Optical Purity: ee: 96% (GLC)
• Linear Formula: CH3CH(OH)CO2CH3
• Empirical Formula (Hill Notation): C4H8O3

DETAILS

MP Biomedicals - 02155164

(Methyl D-lactate) 1 ml = approx. 1.09 g

Sigma Aldrich - 277762

Packaging
5 g in glass bottle

Toronto Research Chemicals - M315230

Methyl D-(+)-Lactate is a methyl ester of D-Lactic acid.