Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)-
Basic information
- CAS
63428-98-8- Standard SMILES
CC(c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O- InChIKey
XOVCWYXPFJNQLU-UHFFFAOYSA-N- Molecular formula
- C22H30O
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.22966558
Names & identifiers
- Preferred name
- Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)-
- IUPAC
- 2,4-ditert-butyl-6-(1-phenylethyl)phenol
- English name
- 2,4-Bis(1,1-dimethylethyl)-6-(1-phenylethyl)phenol
- Molecular formula
- C22H30O
- Molecular weight
- 310.47
Names & synonyms
63428-98-8Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)-2,4-Bis(1,1-dimethylethyl)-6-(1-phenylethyl)phenolBRN 1995835AI3-707364,6-Di-t-butyl-2-alpha-methylbenzylphenol2,4-Di-tert-butyl-6-(alpha-methylbenzyl)phenolDTXSID20886580NSC 321572RefChem:860724DTXCID0010259042,4-ditert-butyl-6-(1-phenylethyl)phenol
Show more names
2,4-di-tert-butyl-6-(1-phenylethyl)phenolCHEMBL480258SCHEMBL11087878SCHEMBL29824185BDBM34128XOVCWYXPFJNQLU-UHFFFAOYSA-NNSC321572AKOS025295577
Database identifiers
- CAS
63428-98-8- PubChem CID
- 93344
- DTXSID
DTXSID20886580- ChEMBL
CHEMBL480258- Nikkaji
- J429.560I
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 410.62 °C · 410.62°C (rough estimate)
- Density
- 0.955 · 0.9550 (rough estimate)
- refractive index
- 1.4675 · 1.4675 (estimate)
- pka
- 11.56 · 11.56±0.50(Predicted)
- EPA Substance Registry System
- 2 · Phenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)- (63428-98-8)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,4-bis(1,1-dimethylethyl)-6-(1-phenylethyl)-: INACTIVE
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Related reactions
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Compound notes
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