Basic information
- CAS
2417-04-1- Standard SMILES
Cc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O- InChIKey
YGYPMFPGZQPETF-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- 3,3',5,5'-Tetramethylbiphenyl-4,4'-diol
- IUPAC
- 4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol
- English name
- 2,2',6,6'-Tetramethyl-4,4'-biphenol
- Molecular formula
- C16H18O2
- Molecular weight
- 242.31
Names & synonyms
3,3',5,5'-tetramethylbiphenyl-4,4'-diolRefChem:484863607-334-12417-04-12,2',6,6'-tetramethyl-4,4'-biphenol4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol[1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetramethyl-3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-dioldi(2,6-dimethylphenol)2,2',6,6'-Tetramethyl-p,p'-biphenolTM-BPL3,3',5,5'-tetramethyl-[1,1'-biphenyl]-4,4'-diol
Show more names
3,3',5,5'-tetramethyl-4,4'-biphenyldiolTMDHB4,4'-Bi(2,6-dimethylphenol)2,2',6,6'-Tetramethylbiphenol3.3'.5.5'-TETRAMETHYL-[1.1'-BI3,3,5,5-Tetramethylbiphenyl-4-diol2,2',6,6'-Tetramethyl-4,4'-bipheno3,3',5,5'-Tetramethyl-4,4'-biphenol
MFCD00094737KV93XB4DEU3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diolCHEMBL449983NSC-93821NSC-1283994,4'-dihydroxy-3,3',5,5'-tetramethylbiphenyl(1,1'-Biphenyl)-4,4'-diol, 3,3',5,5'-tetramethyl-
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 222 · 222-225 °C(lit.)
- Boiling point
- 345.14 °C · 345.14°C (rough estimate)
- Density
- 1.0537 · 1.0537 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.22 · 10.22±0.40(Predicted)
- form
- Solid
- color
- Pale Beige to Light Beige
- InChI
- InChI=1S/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
- InChIKey
- YGYPMFPGZQPETF-UHFFFAOYSA-N
- SMILES
- C1(C2=CC(C)=C(O)C(C)=C2)=CC(C)=C(O)C(C)=C1
- CAS DataBase Reference
- 2417 · 2417-04-1(CAS DataBase Reference)
- FDA UNII
- 93 XB4DEU · KV93XB4DEU
- EPA Substance Registry System
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2907.29.9000
- risk_code
- 36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-22
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetramethyl-: ACTIVE
Applications
Uses2,2',6,6'-tetramethyl-4,4'-biphenol is used for the synthesis of liquid crystal polymer, the synthetic polymer material having a high strength, high modulus, excellent dimensional stability and used widely in various fields.
Uses3,3'',5,5''-Tetramethyl[1,1''-biphenyl]-4,4''-diol, is a building block used in chemical synthesis of Mexiletine (M340800) and it’s derivatives.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
武汉欣扬瑞和化学科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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