Basic information
- CAS
5427-03-2- Standard SMILES
CC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
KSPSGLZRAWUOKJ-UHFFFAOYSA-N- Molecular formula
- C17H28O
- Average molar mass
- 248.4 g/mol
- Monoisotopic mass
- 248.21401551
Names & identifiers
- Preferred name
- 2,6-Di-tert-butyl-4-isopropylphenol
- IUPAC
- 2,6-ditert-butyl-4-propan-2-ylphenol
- English name
- 2,6-Di(tert-butyl)-4-isopropylphenol
- Molecular formula
- C17H28O
- Molecular weight
- 248.4
Names & synonyms
2,6-Di-tert-butyl-4-isopropylphenol5427-03-260AH9J603YPhenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)-NSC-14457DTXSID4063870EINECS 226-573-9NSC 144574-ISOPROPYL-2,6-DI-TERT-BUTYLPHENOL2,6-DI-TERT-BUTYL-4-(2-PROPYL)PHENOLPHENOL, 2,6-DI-TERT-BUTYL-4-ISOPROPYL-RefChem:445267
Show more names
DTXCID4041654226-573-92,6-ditert-butyl-4-propan-2-ylphenol2,6-DI(TERT-BUTYL)-4-ISOPROPYLPHENOLNSC144572,6-Di-tert-butyl-4-(propan-2-yl)phenolUNII-60AH9J603YSCHEMBL1250152
Database identifiers
- CAS
5427-03-2- PubChem CID
- 79476
- DTXSID
DTXSID4063870- UNII
- 60AH9J603Y
- EC Number
- 226-573-9
- Nikkaji
- J218.010C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 60 AH9J603Y · 60AH9J603Y
- EPA Substance Registry System
- 2 · Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)- (5427-03-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylethyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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