Ethyl levulinate

C7H12O3CAS 539-88-8144.17 g/mol

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Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
Density
1.0168 g/mL (at 16.2 °C)
Melting point
below 25 °C
Boiling point
205.8 °C
logP
0.92Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 1,758 ECHA notifiers. Aggregated from 1,758 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
539-88-8
SMILES
CCOC(=O)CCC(C)=O
InChIKey
GMEONFUTDYJSNV-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3

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

Names and synonyms

10 names
  • Pentanoic acid, 4-oxo-, ethyl ester
  • Levulinic acid, ethyl ester
  • Ethyl laevulinate
  • Ethyl 4-oxopentanoate
  • Ethyl 4-oxovalerate
  • Ethyl 3-acetylpropionate
  • Ethyl 4-ketovalerate
  • 4-Oxopentanoic acid ethyl ester
  • NSC 24876
  • NSC 8863

Work with Ethyl levulinate

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

Ethyl 5-oxohexanoate13984-57-181 % similar Diethyl succinate123-25-174 % similar Ethyl acetoacetate141-97-967 % similar Propyl 4-oxopentanoate645-67-066 % similar Diethyl glutarate818-38-264 % similar Diethyl γ-ketopimelate6317-49-363 % similar Diethyl adipate141-28-662 % similar Butyl levulinate2052-15-561 % 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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