Basic information
- CAS
5980-96-1- Standard SMILES
Cc1cc(C)c(C(C)C)c(C)c1- InChIKey
OBSKMRWMGXHFRO-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 2,4,6-Trimethylcumene
- IUPAC
- 1,3,5-trimethyl-2-propan-2-ylbenzene
- English name
- Benzene, 1,3,5-trimethyl-2-(1-methylethyl)- (9CI)
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
2,4,6-Trimethylcumene5980-96-1Benzene, 1,3,5-trimethyl-2-(1-methylethyl)-2-Isopropyl-1,3,5-trimethylbenzene1,3,5-trimethyl-2-(propan-2-yl)benzene1,3,5-trimethyl-2-(1-methylethyl)benzeneSCHEMBL305882SCHEMBL2722808SCHEMBL5163137DTXSID00334771OBSKMRWMGXHFRO-UHFFFAOYSA-N1-(1-methylethyl)-2,4,6-trimethylbenzene
Show more names
Benzene, 1,3,5-trimethyl-2-(1-methylethyl)- (9CI)
DB-325814Benzene, 1,3,5-trimethyl-2-(1-methylethyl)
Database identifiers
- CAS
5980-96-1- PubChem CID
- 521900
- DTXSID
DTXSID00334771- Nikkaji
- J338.427F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 70 · 70-71 °C(Press: 2.2 Torr)
- Density
- 0.8632 g/cm3 · 0.8632 g/cm3
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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