chempirical

1-(Acetyloxy)-2-propanone

C5H8O3CAS 592-20-1116.12 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C5H8O3
Molar mass
116.12 g/mol
Exact mass
116.0473 Da
Density
1.0757 g/mL (at 20 °C)
Melting point
74–75.5 °C
Boiling point
171 °C
logP
0.14Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
592-20-1
SMILES
CC(=O)COC(C)=O
InChIKey
DBERHVIZRVGDFO-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3

Weigh it out

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

Names and synonyms

18 names · show all
  • 2-Propanone, 1-(acetyloxy)-
  • 2-Propanone, 1-hydroxy-, acetate
  • 2-Propanone, hydroxy-, acetate
  • O-Acetylacetol
  • Acetol acetate
  • Acetoxypropanone
  • 1-Hydroxy-2-propanone acetate
  • Acetoxyacetone
  • Acetonyl acetate
  • Acetylmethyl acetate
  • 1-Acetoxyacetone
  • 2-Oxopropyl acetate
  • 1-Acetoxy-2-propanone
  • Acetic acid acetonyl ester
  • 1-(Acetyloxy)propan-2-one
  • NSC 2298
  • NSC 7614
  • Acetyloxyacetone

Work with 1-(Acetyloxy)-2-propanone

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

Acetoxyacetic acid13831-30-656 % similar Glycol diacetate111-55-755 % similar cis-1,4-Diacetoxy-2-butene25260-60-054 % similar 2-(Acetyloxy)acetyl chloride13831-31-754 % similar Methallyl acetate820-71-354 % similar Ethyl acetate141-78-650 % similar 1-(Acetyloxy)-3-chloro-2-propanone40235-68-550 % similar Methoxyacetone5878-19-350 % similar

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

Same formula

Methyl acetoacetate105-45-3 Levulinic acid123-76-2 Methyl 4-oxobutanoate13865-19-5 Tetrahydro-2-furoic acid16874-33-2 Alpha-ketovaleric acid1821-02-9 Methyl 2-propen-1-yl carbonate35466-83-2 Ethyl glycidate4660-80-4 Methyl trans-β-methoxyacrylate5788-17-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook