Ethyl 3-hydroxybutyrate

C6H12O3CAS 35608-64-1132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Density
1.017 g/mL (at 20 °C)
Boiling point
185 °C
Flash point
64.4 °C
Water solubility
≥ 100 g/L (22.8 °C)
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)

Aggregated from 1,638 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
35608-64-1
SMILES
CCOC(=O)CC(C)O
InChIKey
OMSUIQOIVADKIM-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • Butanoic acid, 3-hydroxy-, ethyl ester
  • Butyric acid, 3-hydroxy-, ethyl ester
  • Butyric acid, β-hydroxy-, ethyl ester
  • Ethyl 3-hydroxybutanoate
  • Ethyl β-hydroxybutyrate
  • 3-Hydroxybutanoic acid ethyl ester
  • 3-Hydroxybutyric acid ethyl ester
  • Ethyl DL-3-hydroxybutyrate
  • (±)-3-Hydroxybutanoic acid ethyl ester
  • (±)-Ethyl 3-hydroxybutyrate
  • Ethyl (±)-3-hydroxybutanoate
  • NSC 42916
  • NSC 8115
  • DL-3-Hydroxy-n-butyrate ethyl ester

Work with Ethyl 3-hydroxybutyrate

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.

(+)-Ethyl 3-hydroxybutyrate56816-01-4Defined stereoisomer Ethyl (3R)-3-hydroxybutanoate24915-95-5Defined stereoisomer Ethyl 3-hydroxybutyrate5405-41-4

Similar compounds

Diethyl 3-hydroxyglutarate32328-03-366 % similar (3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate1208313-97-665 % similar Ethyl isovalerate108-64-562 % similar Methyl (-)-3-hydroxybutyrate3976-69-060 % similar Methyl (+)-3-hydroxybutanoate53562-86-060 % similar Diethyl L-malate691-84-958 % similar Ethyl 3-methylpentanoate5870-68-856 % similar Ethyl 4-chloro-3-hydroxybutyrate10488-69-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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