2,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenol
Basic information
- CAS
71712-03-3- Standard SMILES
COc1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1- InChIKey
DLDDIHRRFIDSOW-UHFFFAOYSA-N- Molecular formula
- C22H30O2
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.2245802
Names & identifiers
- Preferred name
- 2,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenol
- IUPAC
- 2,4-ditert-butyl-6-[(4-methoxyphenyl)methyl]phenol
Names & synonyms
71712-03-3J 26442,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenolJ2644J-26442,4-bis(1,1-dimethylethyl)-6-[(4-methoxyphenyl)methyl]phenolRefChem:4430592,4-di-tert-Butyl-6-(4-methoxybenzyl)phenol2,4-ditert-butyl-6-[(4-methoxyphenyl)methyl]phenolAI3-70691Phenol, 2,4-bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)-2,4-bis(1,1-dimethylethyl)-6-(4-methoxyphenylmethyl)phenol
Show more names
BRN 19995432,4-bis(tert-butyl)-6-[(4-methoxyphenyl)methyl]phenolPhenol, 2,4-bis(1,1-dimethylethyl)-6-[(4-methoxyphenyl)methyl]-SCHEMBL374687orb1696886CHEMBL1795595SCHEMBL30359533DLDDIHRRFIDSOW-UHFFFAOYSA-
Database identifiers
- CAS
71712-03-3- PubChem CID
- 100577
- DTXSID
DTXSID60221931- ChEMBL
CHEMBL1795595- EC Number
- 635-338-3
- Nikkaji
- J236.634G
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 382
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
6 records
Compound notes
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