16-Octadecenal
Basic information
- CAS
56554-87-1- Standard SMILES
C/C=C/CCCCCCCCCCCCCCC=O- InChIKey
WTQUVMLIINDJCS-NSCUHMNNSA-N- Molecular formula
- C18H34O
- Average molar mass
- 266.5 g/mol
- Monoisotopic mass
- 266.2609657
Overview
(16E)-octadec-16-enal has been reported in Ruta graveolens and Frullania scandens with data available.
Names & identifiers
- Preferred name
- 16-Octadecenal
- IUPAC
- (E)-octadec-16-enal
Names & synonyms
16-Octadecenal56554-87-1(E)-octadec-16-enalRefChem:79054WTQUVMLIINDJCS-NSCUHMNNSA-N(16E)-16-Octadecenal #
Database identifiers
- CAS
56554-87-1- PubChem CID
- 5367668
- Nikkaji
- J110.964B
Properties
Computed structural properties
- XLogP
- 7.3
- 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
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
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Related reactions
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Compound notes
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