2-Methylhex-2-enyl butyrate
Basic information
- CAS
84753-11-7- Standard SMILES
CCC/C=C(\C)COC(=O)CCC- InChIKey
SJKVXBSVDPKUFG-CSKARUKUSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2-Methylhex-2-enyl butyrate
- IUPAC
- [(E)-2-methylhex-2-enyl] butanoate
Names & synonyms
2-Methylhex-2-enyl butyrateEINECS 283-858-084753-11-7RefChem:263846283-858-0SJKVXBSVDPKUFG-CSKARUKUSA-N
Database identifiers
- CAS
84753-11-7- PubChem CID
- 6366000
- EC Number
- 283-858-0
- Nikkaji
- J309.139B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
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: Butanoic acid, 2-methyl-2-hexenyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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Compound notes
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