Beta-hydroxybutyric acid
Properties
- Molecular formula
- C4H8O3
- Molar mass
- 104.10 g/mol
- Exact mass
- 104.0473 Da
- Melting point
- 46 °C
- Boiling point
- 125–130 °C (at 8 Torr)
- logP
- -0.16Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
300-85-6SMILES
CC(O)CC(=O)OInChIKey
WHBMMWSBFZVSSR-UHFFFAOYSA-NInChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Butanoic acid, 3-hydroxy-
- Butyric acid, 3-hydroxy-
- 3-Hydroxybutanoic acid
- β-Hydroxybutyric acid
- β-Hydroxy-n-butyric acid
- 3-Hydroxybutyric acid
- β-Hydroxybutanoic acid
- (±)-β-Hydroxybutyric acid
- DL-β-Hydroxybutyric acid
- DL-3-Hydroxybutyric acid
- (±)-3-Hydroxybutyric acid
- (±)-3-Hydroxybutanoic acid
- (±)-3-Hydroxy-n-butyric acid
- NSC 3806
Work with Beta-hydroxybutyric acid
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
3-Methylbutanoic acid503-74-258 % similar
3-Methylglutaric acid626-51-758 % similar
β-Aminobutyric acid2835-82-752 % similar
(S)-3-Aminobutyric acid3775-72-252 % similar
(-)-3-Aminobutyric acid3775-73-352 % similar
β-Aminobutyric acid541-48-052 % similar
3-Methylpentanoic acid105-43-150 % similar
(S)-3-Methyl-pentanoic acid1730-92-350 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.