Basic information
- CAS
55669-88-0- Standard SMILES
Cc1ccc(C)c(CC(C)C)c1- InChIKey
IWEUJYZCURHZFV-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 1-Isobutyl-2,5-dimethylbenzene
- IUPAC
- 1,4-dimethyl-2-(2-methylpropyl)benzene
- English name
- 1-iso-Butyl-2,5-dimethylbenzene
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
55669-88-01-Isobutyl-2,5-dimethylbenzene1,4-DIMETHYL-2-ISOBUTYLBENZENEBenzene, 1,4-dimethyl-2-(2-methylpropyl)-DTXSID30204190RefChem:76112DTXCID30126681IWEUJYZCURHZFV-UHFFFAOYSA-N1,4-dimethyl-2-(2-methylpropyl)benzene1-ISO-BUTYL-2,5-DIMETHYLBENZENEBenzene,1,4-dimethyl-2-(2-methylpropyl)-(2-methylpropyl)-p-xylene
Show more names
2-Isobutyl-1,4-dimethylbenzene
SCHEMBL5026910SCHEMBL11038708SCHEMBL206774502-Isobutyl-1,4-dimethylbenzene #AKOS006272114
Database identifiers
- CAS
55669-88-0- PubChem CID
- 41508
- DTXSID
DTXSID30204190- Nikkaji
- J114.125B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 230 °C · 230 °C
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
- RIDADR
- 3082 · 3082
- HazardClass
- 9 · 9
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3082
- hazard_class
- 9
- packing_group
- III
Chemistry & industry
Suppliers3 total
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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