Basic information
- CAS
19812-92-1- Standard SMILES
CC(C)(C)c1ccc(-c2ccc(O)cc2)cc1- InChIKey
NXIXRLZJEZGKGY-UHFFFAOYSA-N- Molecular formula
- C16H18O
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.1357652
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-
- IUPAC
- 4-(4-tert-butylphenyl)phenol
- English name
- 4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol
- Molecular formula
- C16H18O
- Molecular weight
- 226.31
Names & synonyms
[1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-olEINECS 243-342-84-Biphenylol, 4'-tert-butyl-DTXSID0066535(1,1'-Biphenyl)-4-ol, 4'-(1,1-dimethylethyl)-4'-(1,1-Dimethylethyl)(1,1'-biphenyl)-4-olRefChem:204040DTXCID2036164243-342-819812-92-14-(4-tert-butylphenyl)phenol
Show more names
4'-tert-Butyl-4-biphenylol
4-(4-t-Butylphenyl)phenol4'-(tert-Butyl)-[1,1'-biphenyl]-4-olMFCD068023004'-Tert-butyl[1,1'-biphenyl]-4-ol4'-TERT-BUTYL-[1,1'-BIPHENYL]-4-OL4/'-(1,1-dimethylethyl)[1,1/'-biphenyl]-4-ol4-(4-t-butylphenyl)-phenol4'-tert butyl-biphenyl-4-ol
Database identifiers
- CAS
19812-92-1- PubChem CID
- 88262
- DTXSID
DTXSID0066535- EC Number
- 243-342-8
- Nikkaji
- J225.293G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 338.2 · 338.2±11.0 °C(Predicted)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 9.89 · 9.89±0.26(Predicted)
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)- (19812-92-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 412 · H412-H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P501-P264-P270-P301+P312-P330-P501
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 InformationChemical: [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H412-H335-H319-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-: INACTIVE
Suppliers5 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
7 records
Compound notes
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