(+)-2-Cyclohexyl-1,1-diphenyl-2-methyl-1-butanol
Basic information
- CAS
112045-17-7- Standard SMILES
CCC(C)(C1CCCCC1)C(O)(c1ccccc1)c1ccccc1- InChIKey
IDSWJLYOJWDYGQ-UHFFFAOYSA-N- Molecular formula
- C23H30O
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.22966558
Names & identifiers
- Preferred name
- (+)-2-Cyclohexyl-1,1-diphenyl-2-methyl-1-butanol
- IUPAC
- 2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
Names & synonyms
(+)-2-CYCLOHEXYL-1,1-DIPHENYL-2-METHYL-1-BUTANOLRefChem:390546112045-17-7651-838-4AKOS024322229
Database identifiers
- CAS
112045-17-7- PubChem CID
- 4068699
- EC Number
- 651-838-4
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
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Related reactions
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Compound notes
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