CAS 101-86-0PubChem CID 1550884
alpha-Hexylcinnamaldehyde
Alpha-hexylcinnamaldehyde is a member of the class of cinnamaldehydes carrying a hexyl substituent at the alpha-position. It is functionally related to an (E)-cinnamaldehyde. — ChEBI
- IUPAC name
- (2E)-2-benzylideneoctanal
- Molecular formula
- C15H20O
- Molecular weight
- 216.32 g/mol
- Exact mass
- 216.151415257 Da
- XLogP3
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
2-Benzylideneoctanalalpha-Hexylcinnamic aldehydealpha-Hexylcinnamyl aldehydealpha-Hexyl-beta-phenylacroleinCHEBI:55365alpha-n-Hexyl-beta-phenylacroleinOctanal, 2-(phenylmethylene)-NSC-406799
16 more reported names
FEMA No. 2569CINNAMALDEHYDE, alpha-HEXYL-hexyl cinnamaldehyde7X6O37OK2IRefChem:555734202-983-3HexylcinnamaldehydeHexylcinnamal(E)-2-benzylideneoctanal(2E)-2-(phenylmethylidene)octanal2-(Phenylmethylene)octanal2-Hexenyl cynnamaldehyde2-Hexyl-3-phenyl-2-propenalE9947QRR9O.alpha.-HexylcinnamaldehydeWLN: VHY6 & U1R
External database identifiers
- ChEBI:CHEBI:55365
- ChEMBL:CHEMBL1449245
- EPA DTXSID:DTXSID401020801
- PubMed:31734321
- PubMed:26244607
- PubMed:22381623
- PubMed:21920952
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:55365
α-hexylcinnamaldehyde
A member of the class of cinnamaldehydes carrying a hexyl substituent at the α-position.
- Formula
- C15H20O
- Average mass
- 216.324 g/mol
- Monoisotopic mass
- 216.15142 Da
- Formal charge
- 0
- cinnamaldehydes — is a (CHEBI:23245)
- (E)-cinnamaldehyde — has functional parent (CHEBI:16731)
- cinnamaldehydes — is a (CHEBI:23245)
Additional curated names
(2E)-2-benzylideneoctanal2-Benzylideneoctanal2-Hexyl-3-phenyl-2-propenal2-Hexylcinnamaldehyde2-[(E)-benzylidene]octanal2-(Phenylmethylene)octanalalpha-Hexyl-beta-phenylacroleinalpha-Hexylcinnamaldehydealpha-Hexylcinnamic aldehydealpha-Hexylcinnamyl aldehydealpha-n-Hexyl-beta-phenylacroleinHexyl cinnamic aldehydealpha-hexylcinnamic aldehyde
Cross-references from this source
- CAS: 101-86-0 — ChemIDplus
- CAS: 101-86-0 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 2502968 — Reaxys
- MANUAL_X_REF: HMDB0031736 — HMDB
- MANUAL_X_REF: US5792467 — Patent
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-10-23. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match1550884
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 174-175 °C (15 mm Hg) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.950-0.961 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: 4 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Other Solid; CBI; Liquid; Dry Powder; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Pale yellow liquid, jasmine like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.547-1.553 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: insoluble in water; miscible in oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: miscible (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2496) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H400 (65.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H411 (62.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, 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 2496 reports by companies from 37 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 2 of 2496 reports by companies.; There are 36 notifications provided by 2494 of 2496 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)
- GHS Hazard Statements: H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H411 (99.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 168 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; 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)
- Signal: Warning Source: NITE-CMC
- GHS Hazard Statements: H315: Causes skin irritation [Warning Skin corrosion/irritation]; H317: May cause an allergic skin reaction [Warning Sensitization, Skin] Source: NITE-CMC
- 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: NITE-CMC
- Signal: Warning Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H315: Causes skin irritation [Warning Skin corrosion/irritation]; H317: May cause an allergic skin reaction [Warning Sensitization, Skin] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Consumer Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fragrance; Flavoring and nutrient Source: EPA Chemical Data Reporting (CDR)
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.