Basic information
- CAS
80192-49-0- Standard SMILES
C=CCC(C)/C=C(/C)C=O- InChIKey
MIHSPYMZXYONJN-TWGQIWQCSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 2,6-Heptadienal, 2,4-dimethyl-, (2Z)-
- IUPAC
- (2Z)-2,4-dimethylhepta-2,6-dienal
- English name
- 2,4-DIMETHYL-2,6-HEPTADIENAL
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
2,6-Heptadienal, 2,4-dimethyl-, (2Z)-80192-49-02,6-Heptadienal, 2,4-dimethyl-, (Z)-DTXSID30888575RefChem:445803DTXCID201027851(2Z)-2,4-dimethylhepta-2,6-dienalMIHSPYMZXYONJN-TWGQIWQCSA-N
Database identifiers
- CAS
80192-49-0- PubChem CID
- 6262811
- DTXSID
DTXSID30888575- Nikkaji
- J1.587.667K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,6-Heptadienal, 2,4-dimethyl-, (2Z)- (80192-49-0)
- 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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,6-Heptadienal, 2,4-dimethyl-, (2Z)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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