- IUPAC name
- 3,7-dimethylocta-1,6-dien-3-yl benzoate
- Molecular formula
- C17H22O2
- Molecular weight
- 258.35 g/mol
- Exact mass
- 258.161979940 Da
- XLogP3
- 5.0
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Linalool, benzoateBenzoic acid linalool esterBENZOIC ACID, LINALYL ESTERFEMA No. 26381,6-Octadien-3-ol, 3,7-dimethyl-, benzoate1,6-Octadien-3-ol, 3,7-dimethyl-, 3-benzoate3,7-Dimethyl-1,6-octadien-3-yl benzoate2ADP7IT9Y3
16 more reported names
NSC-71926RefChem:799205204-796-2Linalol benzoate1,5-Dimethyl-1-vinyl-4-hexen-1-yl benzoate4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, benzoateLinalylbenzoateEINECS 204-796-2NSC 71926UNII-2ADP7IT9Y3AI3-24279(RS)-linalyl benzoate(1,5-dimethyl-1-vinyl-hex-4-enyl) benzoateLinalyl benzoate, >=95%3,6-octadien-3-yl benzoateLINALYL BENZOATE [FCC]
External database identifiers
- ChEBI:CHEBI:172501
- ChEMBL:CHEMBL3185292
- EPA DTXSID:DTXSID2047191
- PubMed:12804654
- PubMed:12804652
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match31353
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 263.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 263 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.978-0.999 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: yellowish to amber liquid with a heavy, floral, balsamic, fruity odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.505-1.526 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)
- Note: This chemical does not meet GHS hazard criteria for 18.9% (314 of 1660) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H319 (81.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1660 reports by companies from 2 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 314 of 1660 reports by companies.; There is 1 notification provided by 1346 of 1660 reports by companies with hazard statement code(s).; 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 |
|---|---|---|
| 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.