Basic information
- CAS
108929-09-5- Standard SMILES
Cc1ccc(C)c(C(C)C)c1O- InChIKey
APYKTELMGOJSIN-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
Names & identifiers
- Preferred name
- 3,6-Dimethyl-2-propan-2-ylphenol
- IUPAC
- 3,6-dimethyl-2-propan-2-ylphenol
- English name
- Phenol, 3,6-dimethyl-2-(1-methylethyl)- (9CI)
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
108929-09-5APYKTELMGOJSIN-UHFFFAOYSA-NDB-288468Phenol, 3,6-dimethyl-2-(1-methylethyl)-Phenol, 3,6-dimethyl-2-(1-methylethyl)- (9CI)
Database identifiers
- CAS
108929-09-5- Nikkaji
- J2.265.172B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 241.8 · 241.8±9.0 °C(Predicted)
- Density
- 0.963 · 0.963±0.06 g/cm3(Predicted)
- pka
- 10.94 · 10.94±0.15(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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