Basic information
- CAS
17627-41-7- Standard SMILES
CCCCCCOC(=O)C=C(C)C- InChIKey
OGBQOQXYUCEIHB-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-methyl-, hexyl ester
- IUPAC
- hexyl 3-methylbut-2-enoate
- English name
- hexyl 3-methyl-2-butenoate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
2-Butenoic acid, 3-methyl-, hexyl ester17627-41-73-Methyl-2-butenoic acid, hexyl esterEINECS 241-608-8DTXSID6066230RefChem:85993DTXCID5035610OGBQOQXYUCEIHB-UHFFFAOYSA-Nhexyl 3-methylbut-2-enoateHexyl 3-methyl-2-butenoaten-hexyl isopentenoateHexyl 3-methyl-2-butenoate #
Show more names
hexyl senecioate3-Methyl-2-butenoic acid hexyl ester
SCHEMBL31437319DB-243592NS00025800
Database identifiers
- CAS
17627-41-7- PubChem CID
- 87200
- DTXSID
DTXSID6066230- EC Number
- 241-608-8
- Nikkaji
- J287.097E
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 167
Physicochemical properties
- Boiling point
- 234.8 · 234.8±9.0 °C(Predicted)
- Density
- 0.89 · 0.890±0.06 g/cm3(Predicted)
- LogP
- 4.263 · 4.263 (est)
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 3-methyl-, hexyl ester (17627-41-7)
- 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: 2-Butenoic acid, 3-methyl-, hexyl ester
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 Information2-Butenoic acid, 3-methyl-, hexyl ester: INACTIVE
Suppliers1 total
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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