A4995312
Isobutylbenzene , Analysis of standard products,> 99.5%(GC) , 538-93-2
Synonym(s):
2-Methyl-1-phenylpropane
CAS NO.：538-93-2
Empirical Formula: C10H14
Molecular Weight: 134.22
MDL number: MFCD00008936
EINECS: 208-706-2
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -51 °C (lit.) |
| Boiling point: | 170 °C/736 mmHg (lit.) |
| Density | 0.853 g/mL at 25 °C (lit.) |
| vapor pressure | 4.2 mm Hg ( 37.7 °C) |
| refractive index | n |
| Flash point: | 131 °F |
| storage temp. | Flammables area |
| solubility | Insoluble in water, soluble in ethanol, ether, benzene and acetone. |
| pka | >14 (Schwarzenbach et al., 1993) |
| color | Colorless to Almost colorless |
| explosive limit | 0.8-6%(V) |
| Water Solubility | 0.01g/l |
| Merck | 14,5134 |
| BRN | 1852218 |
| Henry's Law Constant | (x 10-2 atm?m3/mol):
1.09 at 25 °C (Hine and Mookerjee, 1975) |
| Dielectric constant | 2.3（Ambient） |
| InChIKey | KXUHSQYYJYAXGZ-UHFFFAOYSA-N |
| LogP | 4.8 at 23℃ and pH6 |
| CAS DataBase Reference | 538-93-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, (2-methylpropyl)-(538-93-2) |
| EPA Substance Registry System | Isobutylbenzene (538-93-2) |
Description and Uses
Isobutylbenzene is used as an intermediate for perfumery and analgesic anti-inflammatory (Ibuprofen). It is also used as an internal standard in the study of increased pigmentation and floral scent levels in Pap1-transgenic petunia.
Safety
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226-H315 |
| Precautionary statements | P210-P302+P352 |
| Hazard Codes | Xi,N |
| Risk Statements | 10-36/37/38-50/53 |
| Safety Statements | 26-36-61-60 |
| RIDADR | UN 3295 3/PG 3 |
| WGK Germany | 3 |
| RTECS | DA3550000 |
| Autoignition Temperature | 802 °F |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29029000 |
