Methyl (+)-3-hydroxybutanoate
Properties
- Molecular formula
- C5H10O3
- Molar mass
- 118.13 g/mol
- Exact mass
- 118.0630 Da
- Density
- 1.0524 g/mL (at 25 °C)
- Boiling point
- 70–72 °C (at 17 Torr)
- logP
- -0.07Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
53562-86-0SMILES
COC(=O)C[C@H](C)OInChIKey
LDLDJEAVRNAEBW-BYPYZUCNSA-NInChI
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Butanoic acid, 3-hydroxy-, methyl ester, (3S)-
- Butanoic acid, 3-hydroxy-, methyl ester, (S)-
- Methyl (S)-3-hydroxybutyrate
- (S)-Methyl 3-hydroxybutanoate
- (S)-3-Hydroxybutanoic acid methyl ester
- (+)-(3S)-3-Hydroxybutanoic acid methyl ester
- (3S)-3-Hydroxybutanoic acid methyl ester
- (S)-3-Hydroxybutyric acid methyl ester
Work with Methyl (+)-3-hydroxybutanoate
Similar compounds
1,5-Dimethyl 3-hydroxypentanedioate7250-55-763 % similar
Ethyl 3-hydroxybutyrate35608-64-160 % similar
Ethyl 3-hydroxybutyrate5405-41-460 % similar
(+)-Ethyl 3-hydroxybutyrate56816-01-460 % similar
Methyl isovalerate556-24-159 % similar
(3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate1208313-97-658 % similar
Dimethyl malate38115-87-655 % similar
(S)-(-)-Dimethyl malate617-55-055 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
Diethyl carbonate105-58-8
Ethylene glycol monomethyl ether acetate110-49-6
(S)-2-Hydroxy-3-methylbutanoic acid17407-55-5
Methyl 2-hydroxyisobutyrate2110-78-3
(±)-2-Hydroxy-2-methylbutyric acid3739-30-8
Methyl 3-methoxypropionate3852-09-3
Ethyl 2-methoxyacetate3938-96-3
Methyl (-)-3-hydroxybutyrate3976-69-0