6-Octenal, (6E)-

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Basic information

CAS: 63196-63-4
Standard SMILES: C/C=C/CCCCC=O
InChIKey: KVNBGNGISDIZRP-NSCUHMNNSA-N
Molecular formula: C8H14O
Average molar mass: 126.2 g/mol
Monoisotopic mass: 126.10446507

Overview

6-octenal is a monounsaturated fatty aldehyde.

Names & identifiers

Preferred name: 6-Octenal, (6E)-
IUPAC: (E)-oct-6-enal
English name: TRANS-6-OCTENAL
Molecular formula: C8H14O
Molecular weight: 126.19616

Names & synonyms

trans-6-Octenal6-Octenal, (E)-6-Octenal, (6E)-Fema No. 47873VW06N840ZUNII-3VW06N840Z(E)-6-Octenal(6E)-OctenalRefChem:1991156-Octenal(E)-oct-6-enal63196-63-4

Show more names

(6E)-6-octenalUNII-I404D38CYOLMFA06000033SCHEMBL514851I404D38CYOSCHEMBL2162625CHEBI:168664DTXSID101024430

Database identifiers

CAS: 63196-63-4、63826-25-5
PubChem CID: 5283328
DTXSID: DTXSID101024430
ChEBI: CHEBI:168664
UNII: 3VW06N840Z
Nikkaji: J1.249.603F、J1.988.525I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 84.6

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.8536 (20 ºC)

Solubility · 2 items

Slightly soluble

Soluble (in ethanol)

Boiling Point171-172ºC

Refractive Index1.4377

Physicochemical properties

FEMA: 4787 · 4787 | TRANS-6-OCTENAL
Odor: 0.1 % · at 0.10 % in propylene glycol. green melon
Odor Type: green
JECFA Number: 2240 · 2240

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 Information6-Octenal: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Additional notes

DefinitionChEBI: 6-octenal is a fatty aldehyde.

Related reactions

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Compound notes

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