Basic information
- CAS
36812-13-2- Standard SMILES
Cc1c(O)ccc(C(C)(C)C)c1C- InChIKey
OXPSEZLCVXHNQE-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Phenol, 4-(1,1-dimethylethyl)-2,3-dimethyl-
- IUPAC
- 4-tert-butyl-2,3-dimethylphenol
- English name
- 4-(1,1-Dimethylethyl)-2,3-dimethylphenol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
68189-19-5Phenol, 4-(1,1-dimethylethyl)-2,3-dimethyl-4-tert-butyl-2,3-dimethylphenol2,3-dimethyl-4-t-butylphenolSCHEMBL1080898DTXSID4071213SCHEMBL29808702OXPSEZLCVXHNQE-UHFFFAOYSA-N4-tert-butyl-2,3-dimethyl-phenolPhenol, (1,1-dimethylethyl)dimethyl-NS000579744-(1,1-Dimethylethyl)-2,3-dimethylphenol
Show more names
6-Hydroxy-1.2-dimethyl-3-tert.-butyl-benzol
Database identifiers
- CAS
36812-13-2、68189-19-5- PubChem CID
- 109705
- DTXSID
DTXSID4071213- Nikkaji
- J429.765B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- EPA Substance Registry System
- 4 · Phenol, 4-(1,1-dimethylethyl)-2,3-dimethyl- (68189-19-5)
- 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.
Hazard information
Regulatory InformationPhenol, (1,1-dimethylethyl)dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Phenol, (1,1-dimethylethyl)dimethyl-: ACTIVE
Phenol, 4-(1,1-dimethylethyl)-2,3-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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