- IUPAC name
- 3,7-dimethyloct-6-enyl formate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.27 g/mol
- Exact mass
- 184.146329876 Da
- XLogP3
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
6-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATEFEMA No. 2314(1)-3,7-Dimethyloct-6-enyl formate7B1MY2BRDK6-Octen-1-ol, 3,7-dimethyl-, 1-formateNSC-46117RefChem:577485203-338-9
16 more reported names
300-075-23,7-dimethyloct-6-en-1-yl formateCitronellol formateFormic acid, citronellyl ester3,7-Dimethyl-6-octen-1-yl formateCitronellyl methanoate2,6-Dimethyl-2-octen-8-yl formateFormic acid, 3,7-dimethyl-6-octen-1-yl ester3,7-Dimethyl-6-octen-1-yl methanoate(+)-3,7-Dimethyloct-6-enyl formate(-)-3,7-Dimethyloct-6-enyl formateEINECS 203-338-9EINECS 300-075-2UNII-7B1MY2BRDKNSC 46117Citronellol formate (6CI)
External database identifiers
- ChEBI:CHEBI:31406
- ChEMBL:CHEMBL3184928
- EPA DTXSID:DTXSID1044772
- PubMed:23074914
- PubMed:22606039
- PubMed:22493851
- PubMed:21936887
- PubMed:16951493
- PubMed:15740053
- PubMed:12118700
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:31406
Citronellyl formate
- Formula
- C11H20O2
- Average mass
- 184.279 g/mol
- Monoisotopic mass
- 184.14633 Da
- Formal charge
- 0
- carboxylic ester — is a (CHEBI:33308)
- carboxylic ester — is a (CHEBI:33308)
Additional curated names
Citronellyl formate
Cross-references from this source
- CAS: 105-85-1 — KEGG COMPOUND
- MANUAL_X_REF: C12295 — KEGG COMPOUND
- MANUAL_X_REF: HMDB0033371 — 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
Exact identifier match7778
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 235.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 235 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.890-0.903 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- LogP: 3.800 Source: Human Metabolome Database (HMDB)
- Physical Description: colourless liquid/strong, fruity, floral odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.443-1.452 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerin, water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1 ml in 3 ml 80% alcohol remains in soln to 10 ml (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 16.5% (295 of 1783) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H315 (82.1%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (81.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, 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 1783 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 295 of 1783 reports by companies.; There are 5 notifications provided by 1488 of 1783 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 |
|---|---|---|
| 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.