2,2',3,3',5,5'-Hexamethyl(1,1'-biphenyl)-4,4'-diol
Basic information
- CAS
19956-76-4- Standard SMILES
Cc1cc(-c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O- InChIKey
IOJCFCLZQBXCIQ-UHFFFAOYSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- 2,2',3,3',5,5'-Hexamethyl(1,1'-biphenyl)-4,4'-diol
- IUPAC
- 4-(4-hydroxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenol
- English name
- 4,4'-Bi[2,3,6-trimethylphenol]
- Molecular formula
- C18H22O2
- Molecular weight
- 270.37
Names & synonyms
19956-76-4DTXSID503508602,2',3,3',5,5'-Hexamethyl[1,1'-biphenyl]-4,4'-diol2,2',3,3',5,5'-Hexamethyl(1,1'-biphenyl)-4,4'-diolRefChem:1058825DTXCID403019272,2',3,3',5,5'-hexamethyl-[1,1'-biphenyl]-4,4'-diol4,4'-Bi[2,3,6-trimethylphenol]2,2',3,3',5,5'-HEXAMETHYL-4,4'-DIHYDROXYBIPHENYLMFCD002746544-(4-hydroxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenol[1,1'-Biphenyl]-4,4'-diol, 2,2',3,3',5,5'-hexamethyl-
Show more names
2,2',3,3',5,5'-Hexamethylbiphenyl-4,4'-diolHexamethylhydroquinone4,4'-Bi[2,3,6-trimethylphenol2,2 ', 3,3', 5,5 '- hexamethyl-4,4' - dihydroxybiphenyl
4,4'-Dihydroxy-2,2',3,3',5,5'-hexamethylbiphenylAKOS032948066AS-69318I120722,2',3,3',6,6'-hexamethyl-4,4'-biphenolSCHEMBL1176388SCHEMBL29429119SY234665
Database identifiers
- CAS
19956-76-4- PubChem CID
- 688288
- DTXSID
DTXSID50350860- Nikkaji
- J150.576I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 229 °C · 229 °C
- Boiling point
- 362.6 · 362.6±37.0 °C(Predicted)
- Density
- 1.084 · 1.084
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 10.35 · 10.35±0.45(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- InChI=1S/C18H22O2/c1-9-7-15(11(3)13(5)17(9)19)16-8-10(2)18(20)14(6)12(16)4/h7-8,19-20H,1-6H3
- InChIKey
- IOJCFCLZQBXCIQ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC(C)=C(O)C(C)=C2C)=CC(C)=C(O)C(C)=C1C
- HS Code
- 2907.29 · 2907.29.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2907.29.9000
Chemistry & industry
Applications
Uses4,4'-Bi[2,3,6-trimethylphenol] is commonly used as an antioxidant and UV absorber to prevent aging and decomposition of rubber and plastic products. The compound can also be used as an initiator of photochemical reactions, UV-curable coatings and dyes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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