Basic information
- CAS
24691-18-7- Standard SMILES
CC(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1- InChIKey
OIVWFAFCHQDCCG-PSASIEDQSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5S)-rel-
- IUPAC
- [(1R,5S)-3,3,5-trimethylcyclohexyl] acetate
- English name
- trans-3,3,5-trimethylcyclohexyl acetate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
24691-18-7EINECS 246-418-9NSC 23487Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5S)-rel-Cyclohexanol, 3,3,5-trimethyl-, acetate, trans-Cyclohexanol, 3,3,5-trimethyl-, acetate, (1R,5S)-rel-RefChem:129626Cyclohexanol, 3,3,5-trimethyl-, acetate, trans-(8CI)Cyclohexanol, 3,3,5-trimethyl-, acetate, trans-(8CI)(9CI)trans-3,3,5-Trimethylcyclohexyl acetateSCHEMBL273014(1R,5S)-3,3,5-TRIMETHYLCYCLOHEXYL ACETATE
Show more names
OIVWFAFCHQDCCG-PSASIEDQSA-NDTXSID401207108NSC23487NSC-23487Cyclohexanol,3,5-trimethyl-, acetate, trans-
Database identifiers
- CAS
24691-18-7- PubChem CID
- 90589
- DTXSID
DTXSID401207108- EC Number
- 246-418-9
- Nikkaji
- J281.518D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 209.84 · 209.840±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.937 · 0.937±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EPA Substance Registry System
- 3 · Cyclohexanol, 3,3,5-trimethyl-, acetate, (1R,5S)-rel- (24691-18-7)
- 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 InformationCyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5S)-rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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