2-Hexenoic acid, 3,5-dimethyl-, methyl ester, (E)-
Basic information
- CAS
32585-08-3- Standard SMILES
COC(=O)/C=C(\C)CC(C)C- InChIKey
NTCOGTNGVBDCEV-SOFGYWHQSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2-Hexenoic acid, 3,5-dimethyl-, methyl ester, (E)-
- IUPAC
- methyl (E)-3,5-dimethylhex-2-enoate
- English name
- Methyl2-hexenoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
32585-08-3RefChem:4728892-Hexenoic acid, 3,5-dimethyl-, methyl ester, (E)-methyl (2E)-3,5-dimethylhex-2-enoateSCHEMBL15482551EN300-1459532METHYL2-HEXENOATE USP/EP/BP3.5-Dimethyl-2-hexensaeuremethylester2-Hexenoic acid, 3,5-dimethyl-, methyl ester, (E)- (8CI,9CI)
Database identifiers
- CAS
32585-08-3- PubChem CID
- 89976263
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 187.847 · 187.847±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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: 2-Hexenoic acid, 3,5-dimethyl-, methyl ester, (E)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
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