Basic information
- CAS
72672-54-9- Standard SMILES
CCC(C)c1cc(Cc2cc(C(C)CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1- InChIKey
PAMOFRNFPOZAHQ-UHFFFAOYSA-N- Molecular formula
- C29H44O2
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.33413064
Names & identifiers
- Preferred name
- Phenol, 2,2'-methylenebis(6-(1,1-dimethylethyl)-4-(1-methylpropyl)-
- IUPAC
- 4-butan-2-yl-2-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methyl]-6-tert-butylphenol
- English name
- 2,2'-methylenebis[4-sec-butyl-6-tert-butylphenol]
- Molecular formula
- C29H44O2
- Molecular weight
- 424.66
Names & synonyms
EINECS 276-760-4Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-(1-methylpropyl)-DTXSID40888167Phenol, 2,2'-methylenebis(6-(1,1-dimethylethyl)-4-(1-methylpropyl)-RefChem:860679DTXCID20102744972672-54-9SCHEMBL10778785SCHEMBL30337273PAMOFRNFPOZAHQ-UHFFFAOYSA-NNS000620042,2'-Methylenebis(4-sec-butyl-6-tert-butylphenol)
Show more names
2,2'-methylenebis[4-sec-butyl-6-tert-butylphenol]2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-(1-methylpropyl)phenol]Phenol,2,2'-methylenebis[6-(1,1-dimethylethyl)-4-(1-methylpropyl)-
2,2'-Methylenebis[4-(butan-2-yl)-6-tert-butylphenol]
Database identifiers
- CAS
72672-54-9- PubChem CID
- 175111
- DTXSID
DTXSID40888167- EC Number
- 276-760-4
- Nikkaji
- J296.340J
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 494
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 479.4 · 479.4±40.0 °C(Predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.50(Predicted)
- EPA Substance Registry System
- 2 · Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-(1-methylpropyl)- (72672-54-9)
- 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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-(1-methylpropyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…