Isobutylbenzene CAS#538-93-2
High-Purity Aromatic Hydrocarbon – Isobutylbenzene is a colorless aromatic hydrocarbon with a characteristic sweet, aromatic odor.
Key Industrial Intermediate – Widely used as a crucial intermediate in the synthesis of ibuprofen.
Versatile Application – Also employed in the perfume industry for fragrance production.
Distinctive Odor Profile – Possesses a pleasant, sweet aroma suitable for various industrial applications.
Isobutylbenzene, also known as (2-methylpropyl)benzene or 1-phenylisobutane, has the molecular formula C₁₀H₁₄ and a molecular weight of 134.22 g/mol
Isobutylbenzene (CAS# 538-93-2) is a colorless, flammable liquid and an aromatic hydrocarbon primarily used as a key intermediate in the production of the painkiller ibuprofen and in the perfume industry. It has a sweet, aromatic odor.
Isobutylbenzene Chemical 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 | n20/D 1.486(lit.) |
| Fp | 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 | 145,134 |
| 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) |
Safety Information
| 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 |
Product Application of Isobutylbenzene CAS#538-93-2
Isobutylbenzene serves as an intermediate in the production of perfumes and the analgesic anti-inflammatory drug ibuprofen. Additionally, it is utilized as an internal standard in research investigating enhanced pigmentation and floral scent levels in Pap1-transgenic petunia.
