2,2'-Methylenebis[4-(1-methyl-1-phenylethyl)phenol]
Basic information
- CAS
71113-22-9- Standard SMILES
CC(C)(c1ccccc1)c1ccc(O)c(Cc2cc(C(C)(C)c3ccccc3)ccc2O)c1- InChIKey
FXSDWJLBJPYRKD-UHFFFAOYSA-N- Molecular formula
- C31H32O2
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.24023026
Names & identifiers
- Preferred name
- 2,2'-Methylenebis[4-(1-methyl-1-phenylethyl)phenol]
- IUPAC
- 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol
- English name
- 2,2'-methylenebis[4-(1-methyl-1-phenylethyl)phenol]
- Molecular formula
- C31H32O2
- Molecular weight
- 436.58
Names & synonyms
EINECS 275-199-2Phenol, 2,2'-methylenebis[4-(1-methyl-1-phenylethyl)-DTXSID30722442,2'-METHYLENEBIS[4-(1-METHYL-1-PHENYLETHYL)PHENOL]Phenol, 2,2'-methylenebis(4-(1-methyl-1-phenylethyl)-2,2'-Methylenebis(4-(1-methyl-1-phenylethyl)phenol)RefChem:242298DTXCID3046900275-199-271113-22-92,2'-methylenebis[4-(2-phenylpropan-2-yl)phenol]SCHEMBL51602
Show more names
B5CD45W8K2FXSDWJLBJPYRKD-UHFFFAOYSA-NNS00037152
Database identifiers
- CAS
71113-22-9- PubChem CID
- 117013
- DTXSID
DTXSID3072244- UNII
- B5CD45W8K2
- EC Number
- 275-199-2
- Nikkaji
- J308.717D
Properties
Computed structural properties
- XLogP
- 8.7
- 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
- 546
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 5 CD45W8K2 · B5CD45W8K2
- EPA Substance Registry System
- 2 · Phenol, 2,2'-methylenebis[4-(1-methyl-1-phenylethyl)- (71113-22-9)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,2'-methylenebis[4-(1-methyl-1-phenylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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