Basic information
- CAS
72861-06-4- Standard SMILES
CC(C)(C)C(C)(C)c1ccc(O)cc1- InChIKey
HPXKISLLCCBHDQ-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 4-(1,1,2,2-Tetramethylpropyl)phenol
- IUPAC
- 4-(2,3,3-trimethylbutan-2-yl)phenol
Names & synonyms
4-(1,1,2,2-tetramethylpropyl)phenolDTXSID00102933272861-06-4RefChem:510027DTXCID701514601SCHEMBL9844421NS00134581
Database identifiers
- CAS
72861-06-4- PubChem CID
- 20161657
- DTXSID
DTXSID001029332
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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 InformationHazard Traits - Endocrine toxicity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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