chempirical

Ethyl 3-methyl-2-oxobutanoate

C7H12O3CAS 20201-24-5144.17 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
Density
0.973 g/mL (at 20 °C)
Boiling point
65.5 °C (at 16 Torr)
logP
0.77Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
20201-24-5
SMILES
CCOC(=O)C(=O)C(C)C
InChIKey
CKTYYUQUWFEUCO-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h5H,4H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Butanoic acid, 3-methyl-2-oxo-, ethyl ester
  • Butyric acid, 3-methyl-2-oxo-, ethyl ester
  • Ethyl α-ketoisovalerate
  • Ethyl 3-methyl-2-oxobutyrate
  • Ethyl 2-oxo-3-methylbutyrate
  • Ethyl 2-oxo-3-methylbutanoate
  • Ethyl isopropylglyoxylate
  • 3-Methyl-2-oxobutanoic acid ethyl ester
  • 2-Oxo-3-methylbutyric acid ethyl ester

Work with Ethyl 3-methyl-2-oxobutanoate

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

1,4-Diethyl 2-methyl-3-oxobutanedioate759-65-961 % similar Diethyl oxalate95-92-158 % similar Diethyl 2-chloro-3-oxobutanedioate34034-87-255 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-454 % similar Ethyl isobutyrate97-62-154 % similar Diethyl oxomalonate609-09-652 % similar Diethyl methylidenemalonate3377-20-648 % similar Ethyl pyruvate617-35-648 % similar

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

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Butyl pyruvate20279-44-1 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook