Ethyl sorbate
Properties
- Molecular formula
- C8H12O2
- Molar mass
- 140.18 g/mol
- Exact mass
- 140.0837 Da
- Density
- 0.9405 g/mL (at 15.3 °C)
- Melting point
- 95–98 °C
- Boiling point
- 195.5 °C
- logP
- 1.68Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
- Double bonds
- E, EE/Z, in SMILES order
Identifiers
CAS number
2396-84-1SMILES
C/C=C/C=C/C(=O)OCCInChIKey
OZZYKXXGCOLLLO-TWTPFVCWSA-NInChI
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2,4-Hexadienoic acid, ethyl ester, (2E,4E)-
- Sorbic acid, ethyl ester
- 2,4-Hexadienoic acid, ethyl ester, (E,E)-
- Ethyl 2,4-hexadienoate
- (E,E)-Ethyl 2,4-hexadienoate
- NSC 8874
- Ethyl (2E,4E)-hexa-2,4-dienoate
Work with Ethyl sorbate
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 trans-crotonate623-70-173 % similar
Diethyl maleate141-05-968 % similar
Diethyl fumarate623-91-668 % similar
Ethyl (2E)-4-oxo-2-butenoate2960-66-966 % similar
Butyl (2E,4E)-2,4-hexadienoate7367-78-463 % similar
Ethyl 3-ethoxy-2-propenoate1001-26-959 % similar
Ethyl (2E)-3-ethoxy-2-propenoate5941-55-959 % similar
Methyl 2,4-hexadienoate1515-80-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds