Benzyl benzoate
A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 120-51-4 | ChEBI ↗ |
| Molecular formula | C14H12O2 | ChEBI ↗ |
| Molar mass | 212.248 g/mol | ChEBI ↗ |
| Monoisotopic mass | 212.08373 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:41237 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 212.24 g/mol | PubChem ↗ |
| Exact mass | 212.083729621 Da | PubChem ↗ |
| Computed XLogP | 4 | PubChem ↗ |
| Topological polar surface area (Ų) | 26.3 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 2 | PubChem ↗ |
| Rotatable bonds | 4 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierbenzyl benzoatebenzyl benzoateSESFRYSPDFLNCH-UHFFFAOYSA-NO=C(OCc1ccccc1)c1ccccc1InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese governmentBenzyl benzoate · R07-B-045-JNIOSH, MOE
| Endpoint | Reported classification |
|---|---|
| Specific target organ toxicity - Single exposure | Category 2 (central nervous system) |
| Hazardous to the aquatic environment （Acute） | Category 1 |
| Hazardous to the aquatic environment （Long-term） | Category 2 |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 212.248 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.