Isobutylbenzene CAS#538-93-2
Isobutylbenzene is a benzene derivative bearing an isobutyl substituent. It is a colorless, transparent liquid at room temperature, insoluble in water but readily soluble in common organic solvents such as ethanol and ether.
Isobutylbenzene is widely used as an organic synthesis intermediate, primarily serving in the manufacture of pharmaceuticals, fragrances, and other fine chemicals, and may also be employed as a solvent in certain applications.
Isobutylbenzene CAS#538-93-2
Isobutylbenzene is an alkylbenzene that is benzene carrying an isobutyl substituent.
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 | n |
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 |
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 Temperatur | 802 °F |
HazardClass | 3 |
PackingGroup | III |
HS Code | 29029000 |
Isobutylbenzene | CAS No. 538-93-2
Product Overview
Isobutylbenzene is an alkylbenzene compound with an isobutyl group attached to the benzene ring. It possesses moderate volatility and stable chemical properties, widely recognized as a critical fine chemical intermediate. Our product is manufactured under standardized production control, with stable purity to satisfy pharmaceutical synthesis, fragrance manufacturing and academic research demands.
Product Application
Pharmaceutical Intermediate
Isobutylbenzene is a core raw material for synthesizing Ibuprofen, a widely used analgesic and anti-inflammatory drug. It participates in the key synthetic route of ibuprofen production, supporting continuous and stable manufacturing of NSAID products.
Fragrance & Flavor Intermediate
It serves as an important building block in the perfumery industry. It can be further converted into aroma chemicals, applied in cosmetic fragrances, personal care scents and household fragrance formulations.
Laboratory Research Internal Standard
The compound is adopted as an internal standard for quantitative analysis in plant research. A typical application is the assay of pigment accumulation and floral scent content in Pap1-transgenic petunia. It is also applicable for qualitative and quantitative analysis in organic chemistry labs.
General Organic Synthesis
Apart from the above main uses, it can act as a reaction medium and organic building block for custom fine chemical synthesis, covering R&D trial batches and pilot scale-up projects.
Supply & Lead Time
Stock Order
We maintain safety stock for regular demand. For in-stock items, shipment can be arranged within 2–3 working days once payment and shipping details are confirmed.
New Production Batch
For orders beyond available inventory or special customized grades, we arrange fresh production. The production cycle takes 7–10 working days, excluding transit time. We will keep you updated on production progress regularly.
Packaging & Transportation
Packaging Options
Standard packing: sealed iron drums or coated plastic drums. Custom net weight and small sample packaging are available upon request. Each package is clearly marked with product name, CAS number, batch No., net weight and hazard identification labels to avoid leakage and contamination.
Shipping Arrangement
Isobutylbenzene is classified as a flammable liquid. We comply with domestic and international dangerous goods transport regulations. We support FCL, LCL and air freight solutions. Required customs documents including MSDS and COA will be provided together.
Quality Control
Each batch is tested before delivery and accompanied by an official COA, covering purity, moisture, related impurities and appearance. Third-party inspection such as SGS is acceptable before shipment. Independent lab testing runs through production, rectification and filling procedures to ensure consistent batch quality.
Factory & Equipment
Our production base is equipped with complete synthesis, rectification, filtration and filling facilities. An on-site analytical laboratory with chromatographic instruments monitors product quality in real time. Standardized SOPs are implemented throughout production. Our capacity supports both small R&D sample orders and large-volume bulk orders.
After-sales & Technical Support
Our technical and sales team offers continuous support. We can supply TDS, MSDS and technical guidance for safe handling and storage. If any quality issue is verified after receipt of goods, please provide photos and test records within the agreed period. We will discuss feasible solutions such as replacement or supplementary delivery based on inspection results. We respond promptly to inquiries about storage conditions, operation safety and synthesis suggestions.
Customer Cases
Pharmaceutical Manufacturers
Long-term bulk supply for ibuprofen intermediate production. We reserve dedicated stock to match their continuous production line and strictly control batch-to-batch consistency.
Fragrance Manufacturers
Supply for aroma intermediate synthesis. Customers usually start with trial samples and place formal bulk orders after qualification.
Universities & Research Institutes
Provide lab-scale samples for plant molecular research and analytical chemistry tests, with fast sample dispatch and complete supporting documentation.
FAQ
Q: What storage conditions are required?
A: Store in a cool, dry and well-ventilated warehouse. Keep away from open flame, heat sources and strong oxidizing agents. Seal containers tightly after sampling to prevent volatilization. Fire prevention facilities should be equipped in the storage area.
Q: Can I request samples?
A: Lab samples are available. Customers bear the freight cost, and sample COA will be enclosed with the parcel.
Q: Can you customize packaging size?
A: Yes. We support multiple packaging forms, including small sample bottles, medium drums and bulk packages according to your requirements.
Q: What customs documents can you provide?
A: We can provide commercial invoice, packing list, COA, MSDS, and Certificate of Origin (CO) upon request.
