Basic information
- CAS
13676-82-9- Standard SMILES
CC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
QHPKIUDQDCWRKO-UHFFFAOYSA-N- Molecular formula
- C31H48O2
- Average molar mass
- 452.7 g/mol
- Monoisotopic mass
- 452.36543078
Names & identifiers
- Preferred name
- 4,4'-Isopropylidenebis(2,6-di-tert-butylphenol)
- IUPAC
- 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-yl]phenol
- English name
- 4,4'-isopropylidenebis[2,6-di-tert-butylphenol]
- Molecular formula
- C31H48O2
- Molecular weight
- 452.71
Names & synonyms
Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis(1,1-dimethylethyl)-EINECS 237-165-54,4'-Isopropylidenebis(2,6-di-tert-butylphenol)4,4'-isopropylidenebis[2,6-di-tert-butylphenol]DTXSID40655754,4'-(1-Methylethylidene)bis(2,6-di-tert-butylphenol)Phenol, 4,4'-(1-methylethylidene)bis(2,6-bis(1,1-dimethylethyl)-RefChem:284635DTXCID8034376237-165-513676-82-94,4'-(Propane-2,2-diyl)bis(2,6-di-tert-butylphenol)
Show more names
Di-tert-butylbisphenol A4,4'-(1-Methylethylidene)bis[2,6-bis(1,1-dimethylethyl)phenol]Phenol, 4,4'-(1-methylethylidene) bis[2,6-bis(1,1-dimethylethyl)-
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-yl]phenolSCHEMBL3968925619-72-1QHPKIUDQDCWRKO-UHFFFAOYSA-NBP_26DB-295034NS00019377Q65621762
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 544
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 4 · Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis(1,1-dimethylethyl)- (13676-82-9)
- 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[2,6-bis(1,1-dimethylethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-(1-methylethylidene)bis[2,6-bis(1,1-dimethylethyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
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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