Ethyl 2-methylacetoacetate

C7H12O3CAS 609-14-3144.17 g/mol

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EsterKetone

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
Density
1.0015 g/mL (at 420 °C)
Melting point
235–236 °C
Boiling point
187 °C
logP
0.77Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
609-14-3
SMILES
CCOC(=O)C(C)C(C)=O
InChIKey
FNENWZWNOPCZGK-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3

Weigh it out

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

Names and synonyms

18 names · show all
  • Butanoic acid, 2-methyl-3-oxo-, ethyl ester
  • Acetoacetic acid, 2-methyl-, ethyl ester
  • Acetoacetic acid, α-methyl-, ethyl ester
  • Ethyl α-methylacetylacetate
  • 2-Methylacetoacetic acid ethyl ester
  • Ethyl α-methylacetoacetate
  • Ethyl 2-methyl-3-oxobutyrate
  • Ethyl α-acetylpropionate
  • α-Methylacetoacetic ester
  • Ethyl 2-methyl-3-oxobutanoate
  • Ethyl 2-acetylpropionate
  • Ethyl methylacetoacetate
  • Ethyl (±)-2-methylacetoacetate
  • Ethyl 2-acetylpropanoate
  • 2-Methyl-3-oxobutanoic acid ethyl ester
  • NSC 1102
  • 2-Methyl-3-oxobutyric acid ethyl ester
  • Ethyl 3-oxo-2-methylbutanoate

Work with Ethyl 2-methylacetoacetate

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

Diethyl methylmalonate609-08-573 % similar Diethyl acetylmalonate570-08-166 % similar Ethyl diacetylacetate603-69-066 % similar Ethyl α-isopropylacetoacetate1522-46-963 % similar Ethyl 2-fluoro-3-oxobutanoate1522-41-459 % similar Ethyl 2-ethylacetoacetate607-97-659 % similar Ethyl 2-chloroacetoacetate609-15-459 % similar 1,4-Diethyl 2-methyl-3-oxobutanedioate759-65-958 % 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 Ethyl 3-methyl-2-oxobutanoate20201-24-5 Butyl pyruvate20279-44-1

Elsewhere

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