chempirical

4-Hydroxy-3-hexanone

C6H12O2CAS 4984-85-4116.16 g/mol

Open in Covalent MOL file
OOH
AlcoholKetone

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
0.056 g/mL (at 31 °C)
Boiling point
64 °C
logP
0.74Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
4984-85-4
SMILES
CCC(=O)C(O)CC
InChIKey
SKCYVGUCBRYGTE-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/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

7 names
  • 3-Hexanone, 4-hydroxy-
  • Propionoin
  • Propioin
  • 3-Hydroxy-4-hexanone
  • Ethyl α-hydroxypropyl ketone
  • (±)-4-Hydroxy-3-hexanone
  • NSC 23087

Work with 4-Hydroxy-3-hexanone

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

Similar compounds

(S)-2-Hydroxybutyric acid3347-90-852 % similar Sodium α-hydroxybutyrate5094-24-650 % similar Ethyl isopropyl ketone565-69-546 % similar 2-Ethyl-1,3-cyclopentanedione823-36-941 % similar Butyl (2S)-2-hydroxybutanoate132513-51-040 % similar L-Erythrulose533-50-637 % similar Ethylmalonic acid601-75-234 % similar 2-Ethylbutanoic acid88-09-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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