Basic information
- CAS
2362-14-3- Standard SMILES
Cc1cc(C2(c3ccc(O)c(C)c3)CCCCC2)ccc1O- InChIKey
SVOBELCYOCEECO-UHFFFAOYSA-N- Molecular formula
- C20H24O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.17763001
Names & identifiers
- Preferred name
- Phenol, 4,4'-cyclohexylidenebis[2-methyl-
- IUPAC
- 4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol
- English name
- 4,4'-Cyclohexylidenebis(2-methylphenol)
- Molecular formula
- C20H24O2
- Molecular weight
- 296.4
Names & synonyms
Show more names
Database identifiers
- CAS
2362-14-3- PubChem CID
- 75386
- DTXSID
DTXSID2074954- ChEMBL
CHEMBL2403359- UNII
- PW8LG6KU6K
- EC Number
- 105-402-0、219-110-7
- Nikkaji
- J213.217F
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 184 °C · 184 °C
- Boiling point
- 450 · 450.0±45.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 10.29 · 10.29±0.35(Predicted)
- color
- White to Almost white
- Water Solubility
- 1.26 mg/L · 1.26mg/L at 20℃
- LogP
- 3.1 at · 3.1 at 25℃
- CAS DataBase Reference
- 2362 · 2362-14-3
- FDA UNII
- 8 LG6KU6K · PW8LG6KU6K
- EPA Substance Registry System
- 4 · Phenol, 4,4'-cyclohexylidenebis[2-methyl- (2362-14-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- TSCA
- TSCA listed
- HS Code
- 2907.29 · 2907.29.9000
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Phenol, 4,4'-cyclohexylidenebis[2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-cyclohexylidenebis[2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 18-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11983
Safety data
- tsca
- TSCA listed
- hs_code
- 2907.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Suppliers45 total
Related reactions
Compound notes
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