Basic information
- CAS
133-63-1- Standard SMILES
CC(C)(C)c1cccc(Cc2cccc(C(C)(C)C)c2O)c1O- InChIKey
PHAZIZJZLYBIIT-UHFFFAOYSA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.20893013
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(6-tert-butylphenol)
- IUPAC
- 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol
- English name
- 2,2'-methylenebis[6-tert-butylphenol]
- Molecular formula
- C21H28O2
- Molecular weight
- 312.45
Names & synonyms
2,2'-Methylenebis(6-tert-butylphenol)EINECS 205-115-1M2P5FSE8NY2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol2,2'-METHYLENEBIS[6-TERT-BUTYLPHENOL]DTXSID30157899Phenol, 2,2'-methylenebis(6-(1,1-dimethylethyl)-2,2'-METHYLENEBIS(6-(1,1-DIMETHYLETHYL)PHENOL)2-TERT-BUTYL-6-((3-TERT-BUTYL-2-HYDROXYPHENYL)METHYL)PHENOL2,2'-Methylenebis[6-(1,1-dimethylethyl)phenol]RefChem:80753DTXCID3080390
Show more names
Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-
205-115-1133-63-12,2/'-methylenebis[6-tert-butylphenol]UNII-M2P5FSE8NYSCHEMBL2935552PHAZIZJZLYBIIT-UHFFFAOYSA-NDB-251656NS00024301
Database identifiers
- CAS
133-63-1- PubChem CID
- 67247
- DTXSID
DTXSID30157899- UNII
- M2P5FSE8NY
- EC Number
- 205-115-1
- Nikkaji
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 105 · 105-106 °C(Solv: hexane (110-54-3))
- Boiling point
- 408.1 · 408.1±40.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 11.05 · 11.05±0.35(Predicted)
- FDA UNII
- 2 P5FSE8NY · M2P5FSE8NY
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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