Basic information
- CAS
1601-74-7- Standard SMILES
CCCCc1cc(C)cc(C)c1- InChIKey
GINMJHHVPMUMGK-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- 1-Butyl-3,5-dimethylbenzene
- IUPAC
- 1-butyl-3,5-dimethylbenzene
- English name
- 1-Butyl-3,5-diMethylbenzene
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
1-butyl-3,5-dimethylbenzene1601-74-7DTXSID401037096RefChem:1055170DTXCID301521175starbld00061671,3-Dimethyl-5-butyl-benzenbenzene-1,3-dimethyl-5-butylSCHEMBL2277083SCHEMBL85079881,3-Dimethyl-5-n-ButylbenzeneSCHEMBL11793154
Show more names
Benzene, 1-butyl-3,5-dimethyl-
SCHEMBL16952957Benzene, 1-butyl-3,5-dimethylGINMJHHVPMUMGK-UHFFFAOYSA-NDB-312043
Database identifiers
- CAS
1601-74-7- PubChem CID
- 528693
- DTXSID
DTXSID401037096- Nikkaji
- J437.538F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 103 · 103-105 °C(Press: 16 Torr)
- Density
- 0.863 · 0.863±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses1-Butyl-3,5-dimethylbenzene, is shown to be a biomarkers of cancer, that can be used in study of the etiology of stenosis of large bronchi in lung cancer.
Suppliers4 total
上海陶素生化科技有限公司021-33632979 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…