Molecular properties
- Formula
- C9H10O2
- Molar mass
- 150.17 g·mol−1
- Exact mass
- 150.0681 Da
- 5
- 0
- 2
- 26.30 Ų
- 2.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 93-89-0
- PubChem CID
- 7165
Molecule record
ETHYL BENZOATE
C9H10O2
150.17 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Aromatic ring
Ether
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 202-284-3
- 93-89-0
- AI3-01352
- Benzoic Acid Ethyl Ester
- Benzoic ether
- Benzoyl ethyl ether
- CHEBI:156074
- DTXCID1018696
Show all 21 synonyms
- DTXSID3038696
- EC 202-284-3
- EINECS 202-284-3
- Ethyl benzenecarboxylate
- Ethyl benzoate (natural)
- Ethylester kyseliny benzoove
- FEMA No. 2422
- HYDROUS BENZOYL PEROXIDE IMPURITY C (EP IMPURITY)
- J115BRJ15H
- NSC 8884
- NSC-8884
- RefChem:5808
- UNII-J115BRJ15H
Structure identifiers
- Canonical SMILES
- CCOC(=O)C1=CC=CC=C1
- Isomeric SMILES
- CCOC(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChIKey
- MTZQAGJQAFMTAQ-UHFFFAOYSA-N
- PubChem CID
- 7165
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for ETHYL BENZOATE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ETHYL BENZOATE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.