Basic information
- CAS
65652-33-7- Standard SMILES
CC=C(C)C(=O)OCCCCCC- InChIKey
JTCIUOKKVACNCK-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Overview
hexyl 2-methylbut-2-enoate has been reported in Artemisia annua with data available.
Names & identifiers
- Preferred name
- Hexyl 2-methylbut-2-enoate
- IUPAC
- hexyl 2-methylbut-2-enoate
- English name
- hexyl 2-methylisocrotonate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
hexyl 2-methylbut-2-enoateRefChem:34776665652-33-72-Butenoic acid, 2-methyl-, hexyl ester, (2Z)-hexyl (E)-tiglatehexyl (Z)-tiglateSCHEMBL36099DTXSID10860192JTCIUOKKVACNCK-UHFFFAOYSA-NEinecs 265-857-7hexyl 2-methylisocrotonate(Z)-2-Methyl-2-butenoic acid hexyl ester
Database identifiers
- CAS
65652-33-7- PubChem CID
- 28151
- DTXSID
DTXSID10860192- EC Number
- 265-857-7
Properties
Computed structural properties
- XLogP
- 3.6
- 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
Physicochemical properties
- Odor
- 10 % · at 10.00 % in dipropylene glycol. green floral gardenia jasmin
- Odor Type
- green
- LogP
- 4.263 · 4.263 (est)
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 2-methyl-, hexyl ester, (2Z)- (65652-33-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 2-methyl-, hexyl ester, (2Z)-: INACTIVE
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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