Basic information
- CAS
94135-07-6- Standard SMILES
C/C=C(\C)C(=O)OCCCC(C)C- InChIKey
IGQMPEJHZCJCHT-BJMVGYQFSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2-methyl-, 4-methylpentyl ester, (E)-
- IUPAC
- 4-methylpentyl (E)-2-methylbut-2-enoate
- English name
- 4-methylpentyl 2-methylcrotonate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
94135-07-62-Butenoic acid, 2-methyl-, 4-methylpentyl ester, (E)-DTXSID301208246RefChem:468001DTXCID2016396384-Methylpentyl 2-methylcrotonateEINECS 302-875-74-METHYLPENTYL (2E)-2-METHYLBUT-2-ENOATE4-methylpentyl 2-methyl-2-butenoateNS00064481Tiglic acid 4-methylpentyl ester(E)-2-Methyl-2-butenoic acid 4-methylpentyl ester
Show more names
2-Butenoic acid, 2-methyl-, 4-methylpentyl ester, (E)- (9CI)
Database identifiers
- CAS
94135-07-6- PubChem CID
- 6366455
- DTXSID
DTXSID301208246- EC Number
- 302-875-7
- Nikkaji
- J368.278A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- LogP
- 4.34 · 4.340 (est)
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, 2-methyl-, 4-methylpentyl ester, (E)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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