Basic information
- CAS
1595-06-8- Standard SMILES
CCC(C)c1ccccc1C- InChIKey
AMBAWAHKHZZAAY-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1-Methyl-2-(1-methylpropyl)benzene
- IUPAC
- 1-butan-2-yl-2-methylbenzene
- English name
- 1-sec-Butyl-2-methylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
1-Methyl-2-(1-methylpropyl)benzene1595-06-8DTXSID70336045RefChem:76222DTXCID20287134AMBAWAHKHZZAAY-UHFFFAOYSA-N1-methyl-2-(1-methyl-propyl)-benzene1-butan-2-yl-2-methylbenzene1-(butan-2-yl)-2-methylbenzeneSCHEMBL391840SCHEMBL678497SCHEMBL793225
Show more names
2-sec-Butyltoluene1-sec-Butyl-2-methylbenzeneBenzene, 1-methyl-2-(1-methylpropyl)-
SCHEMBL817756SCHEMBL10887031SCHEMBL23249312Benzene, 1-methyl-2-(1-methylpropyl)
Database identifiers
- CAS
1595-06-8- PubChem CID
- 528694
- DTXSID
DTXSID70336045- Nikkaji
- J91.296D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 196 °C · 196°C
- Density
- 0.869 · 0.8690
- refractive index
- 1.495 · 1.4950
- Henry's Law Constant
- 9.1 · 9.1×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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