Ethyl benzoate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Density
- 1.3202 g/mL (at 58 °C)
- Melting point
- −34 °C
- Boiling point
- 212 °C
- logP
- 1.86Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
93-89-0SMILES
CCOC(=O)c1ccccc1InChIKey
MTZQAGJQAFMTAQ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Benzoic acid, ethyl ester
- Ethyl benzenecarboxylate
- Benzoyl ethyl ether
- NSC 8884
Work with Ethyl benzoate
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 terephthalate636-09-980 % similar
1,3-Diethyl 1,3-benzenedicarboxylate636-53-375 % similar
Ethyl 3-methylbenzoate120-33-269 % similar
Diethyl phthalate84-66-268 % similar
Ethyl isonicotinate1570-45-267 % similar
Propyl benzoate2315-68-667 % similar
Ethyl 4-methylbenzoate94-08-667 % similar
Ethyl 4-(phenylmethoxy)benzoate56441-55-566 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds