HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Butyl-4-methylbenzene
4-Butyltoluene · p-butyltoluene · parabutyltoluene · toluene,p-butyl- · 4-n-Butyltoluene · 4-N-BUTYLTOLUENE 99% · 4-N-Butyltoluene ,97% · 1-butyl-4-methyl-benzene
Identifiers & Physical Properties
| CAS No. | 1595-05-7 |
|---|---|
| Molecular formula | C11H16 |
| Average molar mass | 148.24 g/mol |
| Monoisotopic mass | 148.12520051 g/mol |
| SMILES | CCCCc1ccc(C)cc1 |
| InChIKey | SBBKUBSYOVDBBC-UHFFFAOYSA-N |
| PubChem CID | 15328 |
| DTXSID | DTXSID9074272 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 88.2 |
| SpringerMaterials Properties | Density |
| Melting point | -85°C |
| Boiling point | 80°C 10mm |
| Density | 0,858 g/cm3 |
| Refractive index | 1.4898 |
| Flash point | 73°C |
| Henry's law constant | 9.1×10-4 mol/(m3Pa) at 25℃, Yaws (2003) |
| EPA Substance Registry System | Benzene, 1-butyl-4-methyl- (1595-05-7) |
| Safety statements (S) | 23-24/25 |
| UN transport number | UN 2667 (BUTYLTOLUENES) |
| Hazard class | 6.1 |
| Packing group | III |
| Customs code | 29029090 |
Safety & Regulations
| UN transport number | UN 2667 (BUTYLTOLUENES) |
|---|---|
| Customs code | 29029090 |
| Safety statements (S) | 23-24/25 |
| Hazard class | 6.1 |
| Packing group | III |
Applications & Uses
Uses
1-Butyl-4-methylbenzene is a useful research chemical compound for organic synthesis and other chemical processes.