chempirical

Acetoin acetate

C6H10O3CAS 4906-24-5130.14 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Density
1.0258 g/mL (at 20 °C)
Boiling point
56 °C (at 10 Torr)
logP
0.53Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
4906-24-5
SMILES
CC(=O)OC(C)C(C)=O
InChIKey
ZKPTYCJWRHHBOW-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Butanone, 3-(acetyloxy)-
  • 2-Butanone, 3-hydroxy-, acetate
  • 3-(Acetyloxy)-2-butanone
  • 3-Acetoxy-2-butanone
  • 3-Acetyloxy-2-butanone
  • Acetic acid 1-methyl-2-oxopropyl ester
  • 2-Acetoxy-3-butanone
  • 3-Oxobutan-2-yl acetate

Work with Acetoin acetate

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

Similar compounds

(S)-(-)-2-Acetoxypropionyl chloride36394-75-957 % similar (2S)-2-(Acetyloxy)propanoic acid6034-46-457 % similar Isopropyl acetate108-21-452 % similar 2,3-Diacetoxybutane1114-92-752 % similar 1-Bromoethyl acetate40258-78-446 % similar Propylene glycol methyl ether acetate108-65-645 % similar sec-Butyl acetate105-46-443 % similar 4-Acetoxy-2,5-dimethyl-3(2H)furanone4166-20-542 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0

Elsewhere

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