Isobutylbenzene
CAS Number: 538-93-2
Chemical Formula: C10H14
Synonyms: (2-methylpropyl)-Benzene, 1-Phenyl-2-methylpropane, 2-Methylpropylbenzene
Appearance: Colorless transparent liquid
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
sobutylbenzene is classified as an alkylbenzene compound, in which a benzene ring is attached with an isobutyl group as the substituent.
Chemical Properties
| Item | Specification |
| 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 | 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) |
Safety Information
| Item | Specification |
| 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
Isobutylbenzene serves as a key chemical intermediate for manufacturing fragrances and the analgesic anti‑inflammatory drug Ibuprofen. It is also applied as an internal standard in research on pigmentation enhancement and floral scent emission in Pap1‑transgenic petunia plants.
Supply & Delivery
Fast delivery time
Inventory: 2-3 working days
New production: 7-10 working days
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