Ethyl 4-ethoxybenzoate
Properties
- Molecular formula
- C11H14O3
- Molar mass
- 194.23 g/mol
- Exact mass
- 194.0943 Da
- Boiling point
- 275 °C
- logP
- 2.26Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation10.3% of notifiers
- H319 Causes serious eye irritation10.3% of notifiers
Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
23676-09-7SMILES
CCOC(=O)c1ccc(OCC)cc1InChIKey
HRAQMGWTPNOILP-UHFFFAOYSA-NInChI
InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzoic acid, 4-ethoxy-, ethyl ester
- Benzoic acid, p-ethoxy-, ethyl ester
- Ethyl p-ethoxybenzoate
- p-Ethoxyethyl benzoate
- 4-Ethoxybenzoic acid ethyl ester
- NSC 405367
- 4-Ethoxy ethylbenzoate
Work with Ethyl 4-ethoxybenzoate
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 terephthalate636-09-978 % similar
Methyl 4-ethoxybenzoate23676-08-672 % similar
Ethyl 4-methoxybenzoate94-30-472 % similar
Diethyl 4,4'-biphenyldicarboxylate47230-38-670 % similar
Ethyl 4-(phenylmethoxy)benzoate56441-55-569 % similar
Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-966 % similar
Ethyl 4-methylbenzoate94-08-666 % similar
Ethyl benzoate93-89-065 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.