Isobutylbenzene
- CAS No.
- 538-93-2
- Chemical Name:
- Isobutylbenzene
- Synonyms
- 2-METHYL-1-PHENYLPROPANE;Benzene,(2-methylpropyl)-;i-Butylbenzene;2-Benzylpropane;isobutyl-benzen;ISOBUTYLBENZENE;1-PHENYLISOBUTANE;1-ISOBUTYLBENZENE;ISOBUYTEL BENZENE;lsobutyl benzene
- CBNumber:
- CB0328155
- Molecular Formula:
- C10H14
- Molecular Weight:
- 134.22
- MDL Number:
- MFCD00008936
- MOL File:
- 538-93-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 atmm3/mol): 1.09 at 25 °C (Hine and Mookerjee, 1975) |
| Dielectric constant | 2.3(Ambient) |
| InChI | 1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KXUHSQYYJYAXGZ-UHFFFAOYSA-N |
| SMILES | CC(C)Cc1ccccc1 |
| LogP | 4.8 at 23℃ and pH6 |
| CAS DataBase Reference | 538-93-2(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | FI94T26KGB |
| NIST Chemistry Reference | Benzene, (2-methylpropyl)-(538-93-2) |
| EPA Substance Registry System | Isobutylbenzene (538-93-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS07,GHS09 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H336-H410-H226 | |||||||||
| Precautionary statements | P501-P273-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| 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 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29029000 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Flam. Liq. 3 |
|||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
Isobutylbenzene price More Price(16)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 113166 | Isobutylbenzene 99% | 538-93-2 | 100ml | $95.7 | 2026-04-30 | Buy |
| Sigma-Aldrich | 113166 | Isobutylbenzene 99% | 538-93-2 | 500ml | $379 | 2026-04-30 | Buy |
| TCI Chemical | I0097 | Isobutylbenzene >99.0%(GC) | 538-93-2 | 25mL | $31 | 2026-04-30 | Buy |
| TCI Chemical | I0097 | Isobutylbenzene >99.0%(GC) | 538-93-2 | 500mL | $147 | 2026-04-30 | Buy |
| TRC | TRC-B692695-1G | iso-Butylbenzene | 538-93-2 | 1g | $162 | 2026-06-03 | Buy |
Isobutylbenzene Chemical Properties,Uses,Production
Chemical Properties
Isobutyl Benzene is an organic, aromatic, neutral and colourless liquid that has a specific gravity of around 0.852. Less dense than water and insoluble in water, soluble in ethanol, ether, benzene and acetone. Vapors heavier than air.
Physical properties
Clear, colorless, liquid with an odor resembling butylbenzene, tert-butylbenzene, ethylbenzene, or toluene. An odor threshold concentration of 80 μg/kg was reported (quoted, Verschueren, 1983)
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.
Definition
ChEBI: Isobutylbenzene is an alkylbenzene that is benzene carrying an isobutyl substituent.
Preparation
Isobutylbenzene synthesis: Isobutyrophenone, underwent a Wolff–Kishner reduction using hydrazine hydrate and strong base conditions to synthesize isobutyl benzene. The solvent for this reaction was replaced with the more sustainable solvent glycerol. The glycerol for this reaction was obtained from the synthesis of biodiesel. The reaction was allowed to heat at reflux (149–155 °C) for a period of three hours. An average 51 % yield of isobutyl benzene was obtained from the solar synthesis, compared to a 55 % yield from an in-lab, electrical heating analysis.
Synthesis Reference(s)
Journal of the American Chemical Society, 73, p. 4343, 1951 DOI: 10.1021/ja01153a092
Synthetic Communications, 26, p. 763, 1996 DOI: 10.1080/00397919608086751
Tetrahedron Letters, 27, p. 6369, 1986 DOI: 10.1016/S0040-4039(00)87811-9
General Description
Isobutylbenzene is synthesized by the isopropylation at the side chain over Na, K and Cs exchanged zeolites.
Hazard
Moderate fire risk. Toxic in high concentration, a skin and eye irritant.
Environmental Fate
Biological. Oxidation of isobutylbenzene by Pseudomonas desmolytica S44B1 and
Pseudomonas convexa S107B1 yielded 3-isobutylcatechol and (+)-2-hydroxy-8-methyl-6-oxononanoic
acid (Jigami et al., 1975).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor.
Isobutylbenzene will not hydrolyze because it has no hydrolyzable functional group.
Isobutylbenzene Preparation Products And Raw materials
Raw materials
1of3
Preparation Products
1of2
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Kaisai Chemical Co., Ltd | 021-33516722 13701817765 | kaisaichem@163.com | China | 4604 | 58 |
| Jinan Hongjia Chemical Co., Ltd | 15253128188; 15253128188 | 315203407@qq.com | China | 69 | 58 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Sichuan Kulinan Technology Co., Ltd | 400-1166-196 18981987031 | cdhxsj@163.com | China | 11674 | 57 |
| Tianjin heowns Biochemical Technology Co., Ltd. | 400 638 7771 | sales@heowns.com | China | 14412 | 57 |
View Lastest Price from Isobutylbenzene manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-15 | Isobutylbenzene
538-93-2
|
$1.50 | 1g | 99.0% Min | 100 Tons | Shaanxi Didu New Materials Co. Ltd | |
 |
2026-05-15 | Isobutylbenzene
538-93-2
|
$1.50 | 1g | 99.0% Min | 100 Tons | Shaanxi Didu New Materials Co. Ltd | |
 |
2026-03-20 | Isobutylbenzene
538-93-2
|
$10.00 | 1KG | 99% | 100 mt | Hebei Chuanghai Biotechnology Co., Ltd |
-
- Isobutylbenzene
538-93-2
- $1.50
- 99.0% Min
- Shaanxi Didu New Materials Co. Ltd
-
- Isobutylbenzene
538-93-2
- $1.50
- 99.0% Min
- Shaanxi Didu New Materials Co. Ltd
-
- Isobutylbenzene
538-93-2
- $10.00
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
