Basic information
- CAS
72928-25-7- Standard SMILES
C=C(CCOC(=O)C(C)CC)C1CC=C(C)CC1- InChIKey
BJWDLKYOQKQDLM-UHFFFAOYSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Names & identifiers
- Preferred name
- Butanoic acid, 2-methyl-, 3-(4-methyl-3-cyclohexen-1-yl)-3-buten-1-yl ester
- IUPAC
- 3-(4-methylcyclohex-3-en-1-yl)but-3-enyl 2-methylbutanoate
- English name
- 3-(4-methyl-3-cyclohexen-1-yl)but-3-enyl 2-methylbutyrate
- Molecular formula
- C16H26O2
- Molecular weight
- 250.37644
Names & synonyms
72928-25-7EINECS 277-059-63-(4-Methyl-3-cyclohexen-1-yl)-3-butenyl 2-methylbutyrate3-(4-Methyl-3-cyclohexen-1-yl)-3-butenyl 2-methylbutanoateDTXSID70888312Butanoic acid, 2-methyl-, 3-(4-methyl-3-cyclohexen-1-yl)-3-buten-1-yl esterButanoic acid, 2-methyl-, 3-(4-methyl-3-cyclohexen-1-yl)-3-butenyl esterRefChem:571386DTXCID8010275923-(4-Methyl-3-cyclohexen-1-yl)but-3-enyl 2-methylbutyrateBJWDLKYOQKQDLM-UHFFFAOYSA-N3-(4-METHYLCYCLOHEX-3-EN-1-YL)BUT-3-EN-1-YL 2-METHYLBUTANOATE
Show more names
2-Methylbutanoic acid 3-(4-methyl-3-cyclohexen-1-yl)-3-butenyl ester
NS00060647
Database identifiers
- CAS
72928-25-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-(4-Methyl-3-cyclohexen-1-yl)-3-butenyl 2-methylbutyrate (72928-25-7)
- 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 InformationButanoic acid, 2-methyl-, 3-(4-methyl-3-cyclohexen-1-yl)-3-buten-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…