Benzyl formate
Benzylformate is a carboxylic ester. It is functionally related to a benzyl alcohol. — ChEBI
- IUPAC name
- benzyl formate
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15 g/mol
- Exact mass
- 136.052429494 Da
- XLogP3
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
Evidence from additional scientific databases
EMBL-EBI ChEBI
Benzylformate
- Formula
- C8H8O2
- Average mass
- 136.150 g/mol
- Monoisotopic mass
- 136.05243 Da
- Formal charge
- 0
- carboxylic ester — is a (CHEBI:33308)
- benzyl alcohol — has functional parent (CHEBI:17987)
- carboxylic ester — is a (CHEBI:33308)
Additional curated names
Cross-references from this source
- CAS: 104-57-4 — KEGG COMPOUND
- MANUAL_X_REF: C05613 — KEGG COMPOUND
- MANUAL_X_REF: HMDB0041485 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2014-07-28. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 202.00 to 203.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 202 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.082-1.092 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: colourless liquid with an intense pleasant, floral-fruity odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.508-1.518 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: insoluble in water; soluble in organic solvents, oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: miscible at room temperature (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1737 reports by companies from 8 notifications to the ECHA C&L Inventory.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.