Basic information
- CAS
58191-81-4- Standard SMILES
CC(C)=CCC(C=O)C(C)C- InChIKey
QGWHBDAFRDCSBJ-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 4-Hexenal, 5-methyl-2-(1-methylethyl)-
- IUPAC
- 5-methyl-2-propan-2-ylhex-4-enal
- English name
- 2-isopropyl-5-methylhex-4-enal
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
58191-81-44-Hexenal, 5-methyl-2-(1-methylethyl)-EINECS 261-159-15-Methyl-2-(1-methylethyl)hex-4-en-1-alDTXSID10866679RefChem:523603DTXCID608149432-Isopropyl-5-methylhex-4-enal5-methyl-2-(propan-2-yl)hex-4-enal5989-36-6SCHEMBL16668898DTXSID90275922
Show more names
5-Methyl-2-(1-methylethyl)-4-hexenal
QGWHBDAFRDCSBJ-UHFFFAOYSA-NDB-314117NS00052996
Database identifiers
- CAS
58191-81-4、5989-36-6- PubChem CID
- 93979
- DTXSID
DTXSID10866679- EC Number
- 261-159-1
- Nikkaji
- J296.895I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- EPA Substance Registry System
- 4 · 4-Hexenal, 5-methyl-2-(1-methylethyl)- (58191-81-4)
- TSCA
- TSCA listed
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 InformationChemical: 4-Hexenal, 5-methyl-2-(1-methylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Hexenal, 5-methyl-2-(1-methylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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