Basic information
- CAS
4132-72-3- Standard SMILES
Cc1ccc(C)c(C(C)C)c1- InChIKey
CLSBTDGUHSQYTO-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1,4-Dimethyl-2-(1-methylethyl)benzene
- IUPAC
- 1,4-dimethyl-2-propan-2-ylbenzene
- English name
- 1-Isopropyl-2,5-dimethylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
4132-72-31,4-Dimethyl-2-(1-methylethyl)benzeneBenzene, 1,4-dimethyl-2-(1-methylethyl)-DTXSID20194293RefChem:1053295DTXCID30116784Cumene, 2,5-dimethyl-2-Isopropyl-1,4-dimethylbenzene1,4-dimethyl-2-(1-methyl-ethyl)-benzene2-Isopropyl-p-xylene1,4-Dimethyl-2-isopropylbenzeneIsopropyl-p-xylene
Show more names
2,5-dimethylisopropylbenzene1-Isopropyl-2,5-dimethylbenzene
1,4-dimethyl-2-(propan-2-yl)benzeneSCHEMBL598624SCHEMBL1004078SCHEMBL16959282SCHEMBL30165955
Database identifiers
- CAS
4132-72-3- PubChem CID
- 77784
- DTXSID
DTXSID20194293- Nikkaji
- J103.231C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 196.2 °C · 196.2°C
- Density
- 0.8699 · 0.8699
- refractive index
- 1.4988 · 1.4988
- Henry's Law Constant
- 9 · 9.0×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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