4-Nonenal, (4E)-
Basic information
- CAS
2277-16-9- Standard SMILES
CCCC/C=C/CCC=O- InChIKey
QPULDJYQYDGZEI-AATRIKPKSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Overview
Trans-4-Nonenal is a monounsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- 4-Nonenal, (4E)-
- IUPAC
- (E)-non-4-enal
- English name
- 4-Nonenal (trans)
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
(E)-non-4-enaltrans-4-Nonenal2277-16-9(E)-4-Nonenal4-Nonenal, (E)-4-NONENAL (TRANS)4-Nonenal, (4E)-FEMA No. 4302F418SB30974-NONENAL, TRANS-TRANS-4-NONENAL [FHFI]DTXSID90880833
Show more names
RefChem:526042DTXCID509092164-nonenal(4E)-NON-4-ENAL(4E)-4-Nonenal(4Z)-non-4-enalUNII-F418SB3097LMFA06000043
Database identifiers
- CAS
2277-16-9- PubChem CID
- 5283337
- DTXSID
DTXSID90880833- ChEBI
CHEBI:191495- UNII
- F418SB3097
- EC Number
- 639-010-0
- Nikkaji
- J110.530B、J972.630F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.843-0.847
Solubility
very slightly
Sparingly soluble in water; soluble in many non-polar solvents
Soluble (in ethanol)
Boiling Point72-75 °C
Refractive Index1.434-1.439
Physical DescriptionClear, colourless or pale yellow liquid; Fruity aroma
Physicochemical properties
- Melting point
- -28 °C · -28°C (estimate)
- Boiling point
- 196 ℃ · 196℃
- Density
- 0.834 · 0.834
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 Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Additional notes
DefinitionChEBI: Trans-4-Nonenal is a fatty aldehyde.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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