(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl oleate
Basic information
- CAS
6070-18-4- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC1CC(C)CCC1C(C)C- InChIKey
KSXDYSUCRAXJBC-SEYXRHQNSA-N- Molecular formula
- C28H52O2
- Average molar mass
- 420.7 g/mol
- Monoisotopic mass
- 420.3967309
Names & identifiers
- Preferred name
- (1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl oleate
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) (Z)-octadec-9-enoate
Names & synonyms
EINECS 228-008-1(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl oleate6070-18-49-Octadecenoic acid (Z)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-RefChem:204767228-008-1menthyl oleate
Database identifiers
- CAS
6070-18-4- PubChem CID
- 6437587
- EC Number
- 228-008-1
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 440
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: 9-Octadecenoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1.alpha.,2.beta.,5.alpha.-(Z)]-
Other Safety InformationIMAP assessments - 9-Octadecenoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1.alpha.,2.beta.,5.alpha.-(Z)]-: Human health tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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