Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC=O- InChIKey
ZENZJGDPWWLORF-UHFFFAOYSA-N- Molecular formula
- C18H34O
- Average molar mass
- 266.5 g/mol
- Monoisotopic mass
- 266.2609657
Names & identifiers
- Preferred name
- 9-Octadecen-1-al
- IUPAC
- octadec-9-enal
- English name
- 9-OCTADECENAL
- Molecular formula
- C18H34O
- Molecular weight
- 266.46
Names & synonyms
9-octadecen-1-alSCHEMBL260835SCHEMBL1740548SCHEMBL3725761ZENZJGDPWWLORF-UHFFFAOYSA-NAKOS030228184NS00096013Octadec-9-enal9-OCTADECENAL
Database identifiers
- CAS
5090-41-5- PubChem CID
- 17029
- DTXSID
DTXSID9074305
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 33 °C · 33°C (estimate)
- Boiling point
- 362.6 °C · 362.6°C
- Density
- 0.841 · 0.8410
- refractive index
- 1.4558 · 1.4558
- FEMA
- 4059 · 4059 | 9-OCTADECENAL
- FLAVIS Number
- 5.203 · 05.203 | 9-Octadecenal
- Odor
- fatty
- JECFA Number
- 1641 · 1641
- LogP
- 7.83 · 7.83
- Substances Added to Food (formerly EAFUS)
- 9 · 9-OCTADECENAL
- FDA UNII
- 971 UC454BB · 971UC454BB
- EPA Substance Registry System
- 9 · 9-Octadecenal (5090-41-5)
Chemistry & industry
Applications
OccurrenceReportedly present in vanilla beans, chicken (roasted), beef (grilled, roasted) and pork (cured, raw).
Preparation methods
PreparationIn a patented process, 9-octadecenal is produced from the reaction of oleyl alcohol and pyridinium chlorochromate.
Suppliers2 total
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Additional notes
DefinitionChEBI: 9-Octadecenal is a fatty aldehyde.
Related reactions
3 records
Linked notes
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