2,2-Bis(4-hydroxy-3-tert-butylphenyl)propane
Basic information
- CAS
79-96-9- Standard SMILES
CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O- InChIKey
ZDRSNHRWLQQICP-UHFFFAOYSA-N- Molecular formula
- C23H32O2
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.24023026
Overview
TBD has been used in trials studying the treatment of Adenocarcinoma.
Names & identifiers
- Preferred name
- 2,2-Bis(4-hydroxy-3-tert-butylphenyl)propane
- IUPAC
- 2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenol
- English name
- 4,4'-Isopropylidenebis(2-t-butylphenol)
- Molecular formula
- C23H32O2
- Molecular weight
- 340.5
Names & synonyms
2,2-bis(4-hydroxy-3-tert-butylphenyl)propane4,4'-Isopropylidenebis(o-tert-butylphenol)OKF3E6VGQBUNII-OKF3E6VGQB2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenolEINECS 201-239-5BRN 22943704,4'-Isopropylidene-bis(2-t-butylphenol)4,4'-propane-2,2-diylbis(2-tert-butylphenol)Phenol, 4,4'-(1-methylethylidene)bis(2-(1,1-dimethylethyl)-4,4'-ISOPROPYLIDENEBIS(2-TERT-BUTYLPHENOL)DTXSID2026490
Show more names
tert-Butylbisphenol A4,4'-Isopropylidenebis(2-t-butylphenol)4,4’-isopropylidenebis(2-tert-butyl-pheno(2,2’-di-tert-butyl-4,4’-isopropylene)di-pheno4,4'-(propane-2,2-diyl)bis(2-(tert-butyl)phenol)4,4’-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-pheno4,4’-(1-methylethylidene)bis(2-(1,1-dimethylethyl)-phenoPhenol,4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-
3,3'-DI-TERT-BUTYLDIANPhenol, (2,2'-di-tert-butyl-4,4'-isopropylene)di-Phenol, 4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-2,2'-DI-TERT-BUTYL-4,4'-ISOPROPYLIDENEBIS(PHENOL)4,4'-(1-METHYLETHYLIDENE)BIS(2-(1,1-DIMETHYLETHYL)PHENOL)2-tert-butyl-4-(2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl)phenolRefChem:80941DTXCID106490
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 436.28 °C · 436.28°C (rough estimate)
- Density
- 0.9832 · 0.9832 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- pka
- 10.51 · 10.51±0.10(Predicted)
- FDA UNII
- 3 E6VGQB · OKF3E6VGQB
- EPA Substance Registry System
- 4 · Phenol, 4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)- (79-96-9)
- 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.
Hazard information
Regulatory InformationChemical: Phenol, 4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-(1-methylethylidene)bis[2-(1,1-dimethylethyl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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