Methyl lactate
Properties
- Molecular formula
- C4H8O3
- Molar mass
- 104.10 g/mol
- Exact mass
- 104.0473 Da
- Density
- 1.09 g/mL (at 19 °C)
- Melting point
- −66 °C
- Boiling point
- 144–145 °C
- Flash point
- 49.4 °C (closed cup)
- Water solubility
- miscible
- logP
- -0.46Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI, index 607-092-00-7[1]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
547-64-8SMILES
COC(=O)C(C)OInChIKey
LPEKGGXMPWTOCB-UHFFFAOYSA-NInChI
InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Propanoic acid, 2-hydroxy-, methyl ester
- Lactic acid, methyl ester
- Methyl 2-hydroxypropionate
- Methyl α-hydroxypropionate
- Methyl 2-hydroxypropanoate
- (±)-Methyl lactate
- (±)-Methyl 2-hydroxypropanoate
- DL-Methyl lactate
- (±)-Methyl 2-hydroxypropionate
- NSC 406248
Work with Methyl lactate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Lactic anhydride97-73-465 % similar
Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-758 % similar
Dimethyl 2,3-dihydroxybutanedioate5057-96-558 % similar
1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-458 % similar
Isopropyl lactate617-51-658 % similar
1-Methylethyl (2S)-2-hydroxypropanoate63697-00-758 % similar
Methyl isobutyrate547-63-754 % similar
Dimethyl methylmalonate609-02-954 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.