Basic information
- CAS
25225-09-6- Standard SMILES
CC(O)C1CCCC(C)(C)C1- InChIKey
BVUYQSFBRKUJNK-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- Cyclohexanemethanol, alpha,3,3-trimethyl-
- IUPAC
- 1-(3,3-dimethylcyclohexyl)ethanol
- English name
- alpha,3,3-trimethylcyclohexanemethanol
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
alpha,3,3-TrimethylcyclohexanemethanolCyclohexanemethanol, .alpha.,3,3-trimethyl-EINECS 246-736-8Cyclohexanemethanol, alpha,3,3-trimethyl-DTXSID80865194RefChem:129586DTXCID80813630246-736-81-(3,3-dimethylcyclohexyl)ethanol25225-09-61-(3,3-dimethylcyclohexyl)ethan-1-olSCHEMBL187891
Show more names
α,3,3-TrimethylcyclohexanemethanolCyclohexanemethanol, α,3,3-trimethyl-
SCHEMBL177482371-(3',3'-dimethylcyclohexyl)ethanol1-(3,3-dimethyl-cyclohexyl)-ethanolAKOS015781495DS-019864NS00049452
Database identifiers
- CAS
25225-09-6- PubChem CID
- 91338
- DTXSID
DTXSID80865194- EC Number
- 246-736-8
- Nikkaji
- J236.095K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-(3,3-Dimethylcyclohexyl)ethanol) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 10 Torr)
- Density
- 0.9071 g/cm3 · 0.9071 g/cm3
- pka
- 15.12 · 15.12±0.20(Predicted)
- Odor
- 100 % · at 100.00 %. camphoreous minty
- Odor Type
- camphoreous
- LogP
- 3.061 · 3.061 (est)
- EPA Substance Registry System
- 3 · Cyclohexanemethanol, .alpha.,3,3-trimethyl- (25225-09-6)
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (235 of 235) of all reports.
Not Classified
Aggregated GHS information provided per 235 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Cyclohexanemethanol, .alpha.,3,3-trimethyl-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanemethanol, .alpha.,3,3-trimethyl-: ACTIVE
Suppliers5 total
湖北兴琰新材料科技有限公司13129948835 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
4 records
Compound notes
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