Ethyl (3R)-3-hydroxybutanoate

C₆H₁₂O₃CAS 24915-95-5132.16 g/mol

Open in Covalent MOL file

Alcohol Ester

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
logP: 0.32Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H227 Combustible liquid50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

24915-95-5

SMILES

CCOC(=O)C[C@@H](C)O

InChIKey

OMSUIQOIVADKIM-RXMQYKEDSA-N

InChI

InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Ethyl (R)-3-hydroxybutyrate

Work with Ethyl (3R)-3-hydroxybutanoate

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 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-hydroxybutyrate56816-01-4Enantiomer Ethyl 3-hydroxybutyrate35608-64-1Stereo not defined Ethyl 3-hydroxybutyrate5405-41-4Stereo not defined

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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