Ethyl levulinate

C₇H₁₂O₃CAS 539-88-8144.17 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

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

Weigh it out

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 Propyl 4-oxopentanoate645-67-066 % similar Diethyl glutarate818-38-264 % similar Butyl levulinate2052-15-561 % similar Ethyl butyrate105-54-459 % similar Diethyl sebacate110-40-759 % similar Diethyl pimelate2050-20-659 % similar Diethyl suberate2050-23-959 % 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 Ethyl 3-methyl-2-oxobutanoate20201-24-5 4-Hydroxybutyl acrylate2478-10-6 Polyethylene glycol methyl ether methacrylate26915-72-0

Elsewhere

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