(4E)-hepta-4,6-dienal
Basic information
- CAS
79280-39-0- Standard SMILES
C=C/C=C/CCC=O- InChIKey
LRXHBCFIMDSOLD-ONEGZZNKSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Overview
4,6-heptadienal is a polyunsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- (4E)-hepta-4,6-dienal
- IUPAC
- (4E)-hepta-4,6-dienal
Names & synonyms
(4E)-hepta-4,6-dienalRefChem:403192991-918-94,6-heptadienal4,6-Heptadienal, (E)-LMFA06000025SCHEMBL14312268CHEBI:195652
Database identifiers
- CAS
79280-39-0- PubChem CID
- 5283322
- ChEBI
CHEBI:195652- EC Number
- 991-918-9
- Nikkaji
- J1.723.372F、J3.476.395J
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
- 92.6
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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