Basic information
- CAS
62238-34-0- Standard SMILES
CCC=CCCC=O- InChIKey
VVGOCOMZRGWHPI-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Overview
hept-4-enal has been reported in Aspalathus linearis with data available.
Names & identifiers
- Preferred name
- Hept-4-enal
- IUPAC
- hept-4-enal
- English name
- 4-HEPTENAL
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
hept-4-enal62238-34-0C80KP0OKXYDTXSID40863934RefChem:783561DTXCID008125044-HEPTENAL (CIS-AND TRANS-)4-heptenalUNII-C80KP0OKXYc4-heptenalSCHEMBL241954SCHEMBL241955
Show more names
5-hepten-1-al
AKOS028109094DB-253202
Database identifiers
- CAS
62238-34-0、6728-31-0- PubChem CID
- 71590
- DTXSID
DTXSID40863934
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.5
Experimental & physicochemical properties
FragrancesFragrance Ingredient (4-Heptenal) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 152 ℃ · 152℃
- Density
- 0.83 · 0.830
- FEMA
- 3289 · 3289 | 4-HEPTENAL
- Flash point
- 35 ℃ · 35℃
- JECFA Number
- 320 · 320
- LogP
- 1.98 · 1.980 (est)
- FDA UNII
- 80 KP0OKXY · C80KP0OKXY
Safety & regulation
Hazard information
Regulatory InformationChemical: 4-Heptenal
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Related reactions
1 records
Compound notes
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