Basic information
- CAS
19546-20-4- Standard SMILES
CCC(CC)(CC)Cc1ccc(C(C)(C)c2ccc(O)c(CC(CC)(CC)CC)c2)cc1O- InChIKey
WBGDNDKJQZGXRE-UHFFFAOYSA-N- Molecular formula
- C31H48O2
- Average molar mass
- 452.7 g/mol
- Monoisotopic mass
- 452.36543077
Names & identifiers
- Preferred name
- Propane, 2,2-bis(3'-t-octyl-4'-hydroxyphenyl)-
- IUPAC
- 2-(2,2-diethylbutyl)-5-[2-[3-(2,2-diethylbutyl)-4-hydroxyphenyl]propan-2-yl]phenol
- English name
- 4,4'-Isopropylidenebis[2-(1,1,3,3-tetramethylbutyl)phenol]
- Molecular weight
- 0
Names & synonyms
19546-20-4Propane, 2,2-bis(3'-t-octyl-4'-hydroxyphenyl)-Antioxidant TOD [Czech]Antioxidant TODBRN 24843852,2-Bis(3-tert-octyl-4-hydroxyphenyl)propane2-(2,2-diethylbutyl)-4-{2-[4-(2,2-diethylbutyl)-3-hydroxyphenyl]propan-2-yl}phenol2-(2,2-diethylbutyl)-5-[2-[3-(2,2-diethylbutyl)-4-hydroxyphenyl]propan-2-yl]phenol2,2-Bis-3'-terc.oktyl-4'-hydroxyfenylpropan [Czech]DTXSID101732194,4/'-Isopropylidenebis[2-(1,1,3,3-tetramethylbutyl)phenol]NS00127752
Show more names
4,4'-Isopropylidenebis[2-(1,1,3,3-tetramethylbutyl)phenol]
2,2-Bis-3'-terc.oktyl-4'-hydroxyfenylpropan
Database identifiers
- CAS
19546-20-4- PubChem CID
- 88147
- DTXSID
DTXSID10173219
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Boiling point
- 520.09 °C · 520.09°C (rough estimate)
- Density
- 0.9277 · 0.9277 (rough estimate)
- refractive index
- 1.4875 · 1.4875 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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