chempirical

2,3-Diacetoxybutane

C8H14O4CAS 1114-92-7174.20 g/mol

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Ester

Properties

Molecular formula
C8H14O4
Molar mass
174.20 g/mol
Exact mass
174.0892 Da
Density
1.0244 g/mL (at 25 °C)
Melting point
25.7–25.9 °C
Boiling point
82 °C (at 10 Torr)
logP
0.89Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
1114-92-7
SMILES
CC(=O)OC(C)C(C)OC(C)=O
InChIKey
VVSAAKSQXNXBML-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O4/c1-5(11-7(3)9)6(2)12-8(4)10/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

5 names
  • 2,3-Butanediol, 2,3-diacetate
  • 2,3-Butanediol, diacetate
  • 1,2-Dimethylethylene acetate
  • 2,3-Butyleneglycol diacetate
  • 2,3-Butanediyl diacetate

Work with 2,3-Diacetoxybutane

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

Isopropyl acetate108-21-462 % similar 1,2,3-Tri-O-acetyl-5-deoxy-β-D-ribofuranose62211-93-256 % similar 1-Bromoethyl acetate40258-78-454 % similar Acetoin acetate4906-24-552 % similar sec-Butyl acetate105-46-450 % similar Di-O-acetyl-L-rhamnal34819-86-848 % similar 4-Methyl-2-pentyl acetate108-84-948 % similar (S)-(-)-2-Acetoxypropionyl chloride36394-75-948 % similar

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

Same formula

1,3-Butylene glycol diacetate1117-31-3 (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-3 Diethyl succinate123-25-1 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-5 Glycol diglycidyl ether2224-15-9 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-8 Suberic acid505-48-6 Dimethyl isosorbide5306-85-4

Elsewhere

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