2,4,7-Decatrienal

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Basic information

CAS: 353244-73-2
Standard SMILES: CC/C=C/C/C=C/C=C/C=O
InChIKey: KEXCNWISTVJVBV-SIRUGEDZSA-N
Molecular formula: C10H14O
Average molar mass: 150.22 g/mol
Monoisotopic mass: 150.10446507

Overview

2,4,7-decatrienal is a polyunsaturated fatty aldehyde.

Names & identifiers

Preferred name: 2,4,7-Decatrienal
IUPAC: (2E,4E,7E)-deca-2,4,7-trienal

Names & synonyms

2,4,7-decatrienalRefChem:443024892-370-251325-37-2(E,E,E)-2,4,7-Decatrienal353244-73-2UNII-K15N2Q79CX(2E,4E,7E)-deca-2,4,7-trienalK15N2Q79CX2,4,7-Decatrienal, (2E,4E,7E)-2E,4E,7E-DecatrienalFAL 10:3

Show more names

LMFA06000060SCHEMBL887174SCHEMBL7296449CHEBI:190805(2E,4E,7E)-2,4,7-decatrienalQ27281811

Database identifiers

CAS: 353244-73-2、51325-37-2
PubChem CID: 5283352
ChEBI: CHEBI:190805
UNII: K15N2Q79CX
EC Number: 892-370-2
Nikkaji: J2.365.027D

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 164

Experimental & physicochemical properties

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

Density0.900-0.904

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point232-234 °C

Refractive Index1.538-1.544

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Related reactions

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Compound notes

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