Butylbenzene
ALDRICH/B90203 - ≥99%
Synonym: 1-Phenylbutane
CAS Number: 104-51-8
Empirical Formula (Hill Notation): C10H14
Molecular Weight: 134.22
EC Number: 203-209-7
MDL Number: MFCD00009463
Linear Formula: C6H5(CH2)3CH3
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: B90203-500ML.
| assay | ≥99% |
| autoignition temp. | 774 °F |
| bp | 183 °C (lit.) |
| density | 0.86 g/mL at 25 °C (lit.) |
| expl. lim. | 5.8 % |
| form | liquid |
| InChI | 1S/C10H14/c1-2-3-7-10-8-5 |
| InChI key | OCKPCBLVNKHBMX-UHFFFAOYSA |
| mp | −88 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCCCc1ccccc1 |
| vapor density | >1 (vs air) |
| vapor pressure | 1.03 mmHg ( 23 °C) |
| Application: | Butylbenzene undergoes oxidation to afford butyrophenone. It is used to prepare N-arylazoles via oxidant-free and selective C(sp2)-H amination reaction. It can be used in the synthesis of alkylated pentacene and ladder-type oligo(p-phenylene)s to improve solubility in common organic solvents. |
| Packaging: | 25, 100, 500 mL in glass bottle |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 - P370 + P378 |
| Hazard Codes | N |
| Risk Statements | 10-50/53 |
| Safety Statements | 16-60-61 |
| RIDADR | UN 2709 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 138.2 °F - closed cup |
| Flash Point(C) | 59.0 °C - closed cup |
| Purity | ≥99% |
| bp | 183 °C (lit.) |
| mp | −88 °C (lit.) |
| Density | 0.86 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |