Basic information
- CAS
2416-98-0- Standard SMILES
CC(C)(C)c1cccc(-c2ccccc2)c1O- InChIKey
HXVMQDBXJZKLEV-UHFFFAOYSA-N- Molecular formula
- C16H18O
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.13576519
Names & identifiers
- Preferred name
- 3-(1,1-Dimethylethyl)[1,1'-biphenyl]-2-ol
- IUPAC
- 2-tert-butyl-6-phenylphenol
- English name
- 3-(1,1-dimethylethyl)[1,1'-biphenyl]-2-ol
- Molecular formula
- C16H18O
- Molecular weight
- 226.31
Names & synonyms
2416-98-0EINECS 219-331-93-(1,1-DIMETHYLETHYL)[1,1'-BIPHENYL]-2-OL3-(1,1-Dimethylethyl)(1,1'-biphenyl)-2-olDTXSID90178868RefChem:489170DTXCID50101359219-331-93-tert-butylbiphenyl-2-ol2-tert-Butyl-6-Phenylphenol2-Biphenylol, 3-tert-butyl-[1,1'-Biphenyl]-2-ol, 3-(1,1-dimethylethyl)-
Show more names
6-tert-butyl-o-Phenylphenol3-tert-Butyl-1,1'-biphenyl-2-ol
2-tert-butyl-6-phenyl-phenol4KJ5QB3EYS2-t-butyl-6-phenylphenol[1,1'-Biphenyl]-2-ol,3-(1,1-dimethylethyl)-SCHEMBL2261916SCHEMBL2914433SCHEMBL30288300Phenol, 2-tert-butyl-6-phenyl-
Database identifiers
- CAS
2416-98-0- PubChem CID
- 75489
- DTXSID
DTXSID90178868- UNII
- 4KJ5QB3EYS
- EC Number
- 219-331-9
- Nikkaji
- J104.633K
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
- 234
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 327.93 °C · 327.93°C (rough estimate)
- Density
- 0.9955 · 0.9955 (rough estimate)
- refractive index
- 1.497 · 1.4970 (estimate)
- pka
- 11.36 · 11.36±0.10(Predicted)
- InChI
- InChI=1S/C16H18O/c1-16(2,3)14-11-7-10-13(15(14)17)12-8-5-4-6-9-12/h4-11,17H,1-3H3
- InChIKey
- HXVMQDBXJZKLEV-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=CC=CC(C(C)(C)C)=C1O
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H400-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P273-P391-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-(1,1-dimethylethyl)[1,1'-biphenyl]-2-ol (EC: 219-331-9)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H400-H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P273-P391-P501
Chemistry & industry
Suppliers11 total
上海策嵘生物科技有限公司[email protected]
淄博茵泰医药科技有限公司18766946537 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
南京大唐化工有限责任公司025-85431992 13951889900 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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