Basic information
- CAS
4706-89-2- Standard SMILES
Cc1ccc(C(C)C)c(C)c1- InChIKey
AADQFNAACHHRLT-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Overview
2,4-Dimethyl-1-(1-methylethyl)-benzene is a monoterpenoid.
Names & identifiers
- Preferred name
- Benzene, 2,4-dimethyl-1-(1-methylethyl)-
- IUPAC
- 2,4-dimethyl-1-propan-2-ylbenzene
- English name
- 1-Isopropyl-2,4-dimethylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
Benzene, 2,4-dimethyl-1-(1-methylethyl)-4706-89-22,4-dimethyl-1-propan-2-ylbenzeneDTXSID6075065RefChem:1078246DTXCID2040529Cumene, 2,4-dimethyl-1-Isopropyl-2,4-dimethylbenzene2,4-Dimethyl-1-(1-methylethyl)-benzene2,4-dimethyl-1-(propan-2-yl)benzene4-Isopropyl-m-xyleneSCHEMBL599102
Show more names
2,4-Dimethyl-1-isopropylbenzene1-(1-Methylethyl)-2,4-dimethylbenzene
SCHEMBL1003317SCHEMBL3166186SCHEMBL83372171.5-Dimethyl-2-isopropylbenzolSCHEMBL10685097SCHEMBL16953360SCHEMBL21462879SCHEMBL29757164
Database identifiers
- CAS
4706-89-2- PubChem CID
- 20832
- DTXSID
DTXSID6075065- ChEBI
CHEBI:88567- Nikkaji
- J103.230E
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
- -82 °C · -82°C
- Boiling point
- 199.1 °C · 199.1°C
- Density
- 0.869 · 0.8690
- refractive index
- 1.498 · 1.4980
- Henry's Law Constant
- 8.7 · 8.7×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 2 · Benzene, 2,4-dimethyl-1-(1-methylethyl)- (4706-89-2)
Chemistry & industry
Additional notes
DefinitionChEBI: 2,4-Dimethyl-1-(1-methylethyl)-benzene is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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