Phenol, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethyl)-
Basic information
- CAS
4973-27-7- Standard SMILES
CC(C)(C)c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O- InChIKey
ZAAQJFLUOUQAOG-UHFFFAOYSA-N- Molecular formula
- C21H28O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.21401552
Names & identifiers
- Preferred name
- Phenol, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethyl)-
- IUPAC
- 4-benzyl-2,6-ditert-butylphenol
Names & synonyms
AI3-29184Phenol, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethyl)-4973-27-7DTXSID50197999RefChem:368922DTXCID601204904-benzyl-2,6-ditert-butylphenol4-benzyl-2,6-di-tert-butylphenolSCHEMBL1187217SCHEMBL6544776SCHEMBL8388975SCHEMBL10964373
Show more names
4-benzyl-2,6-di-t-butylphenolAKOS024341794
Database identifiers
- CAS
4973-27-7- PubChem CID
- 4651990
- DTXSID
DTXSID50197999- EC Number
- 113-958-0
- Nikkaji
- J3.608.491J
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 316
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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