3-Cyclohexylphenol
Basic information
- CAS
1943-95-9- Standard SMILES
Oc1cccc(C2CCCCC2)c1- InChIKey
WFKNYMUYMWAGCV-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 3-Cyclohexylphenol
- IUPAC
- 3-cyclohexylphenol
- English name
- 3-Cyclohexylphenol
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
3-Cyclohexylphenol1943-95-9Phenol, 3-cyclohexyl-M-CYCLOHEXYLPHENOLMFCD16877054Phenol, 3(or 4)-cyclohexyl-70561-22-7Phenol, m-cyclohexyl-3 -cyclohexyl-phenolSCHEMBL219530SCHEMBL2097266SCHEMBL2190332
Show more names
3-Cyclohexylphenol?New3-cyclohexylbenzenephenol
SCHEMBL9987904SCHEMBL31123519DTXSID10883780BAA94395AKOS015856566DS-15748CS-0186816EN300-300061
Database identifiers
- CAS
1943-95-9、70561-22-7- PubChem CID
- 16036
- DTXSID
DTXSID10883780- EC Number
- 850-031-6
- Nikkaji
- J102.539B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 300 ℃ · 300℃
- Density
- 1.042 · 1.042
- Flash point
- 152 ℃ · 152℃
- storage temp.
- Inert atmosphere,Room Temperature
- EPA Substance Registry System
- 3 · Phenol, 3-cyclohexyl- (1943-95-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Phenol, 3-cyclohexyl-: INACTIVE
Phenol, 3(or 4)-cyclohexyl-: INACTIVE
Related reactions
2 records
Compound notes
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