Basic information
- CAS
1516-94-5- Standard SMILES
CC(C)(C)c1cc(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
LRRMGPGVHYPBPL-UHFFFAOYSA-N- Molecular formula
- C30H46O2
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 438.34978071
Names & identifiers
- Preferred name
- 4,4'-(1,2-Ethanediyl)bis(2,6-bis(1,1-dimethylethyl)phenol
- IUPAC
- 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
- English name
- 4,4'-Ethylenebis(2,6-ditert-butylphenol)
- Molecular formula
- C30H46O2
- Molecular weight
- 438.68
Names & synonyms
1516-94-54,4'-Ethylenebis(2,6-di-tert-butylphenol)Phenol, 4,4'-(1,2-ethanediyl)bis[2,6-bis(1,1-dimethylethyl)-45LGY5PJDYPhenol, 4,4'-(1,2-ethanediyl)bis(2,6-bis(1,1-dimethylethyl)-RefChem:10692304,4'-(1,2-Ethanediyl)bis(2,6-bis(1,1-dimethylethyl)phenol4,4'-Ethylenebis(2,6-ditert-butylphenol)4,4'-(ethane-1,2-diyl)bis(2,6-di-tert-butylphenol)1,2-Bis(3,5-di-t-butyl-4-hydroxyphenyl)ethane2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenolUNII-45LGY5PJDY
Show more names
SCHEMBL284696DTXSID90934300MFCD09865700AKOS024436569AS-80415E775621,2-bis(3,5-di-tert-butyl-4-hydroxyphenyl)ethanePHENOL, 4,4'-ETHYLENEBIS(2,6-DI-TERT-BUTYL-
Database identifiers
- CAS
1516-94-5- PubChem CID
- 164847
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 174 · 174-175 °C
- Boiling point
- 464 · 464.0±40.0 °C(Predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- pka
- 12.22 · 12.22±0.40(Predicted)
- FDA UNII
- 45 LGY5PJDY · 45LGY5PJDY
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Related reactions
2 records
Compound notes
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