Isobutylbenzene
TL;DR: Isobutylbenzene (CAS 538-93-2) is a chemical compound with molecular formula C10H14 and molecular weight 134.10954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropylbenzene
Also Known As: ISOBUTYLBENZENE, (2-Methylpropyl)benzene, iso-butylbenzene, 2-methylpropylbenzene, 2-Methyl-1-phenylpropane
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14 |
| Molecular Weight | 134.10954 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.10954 Da |
| Heavy Atoms | 10 |
| Complexity | 78.0 |
| Vapor Pressure | 1.93 [mmHg] |
| SMILES | CC(C)CC1=CC=CC=C1 |
| InChIKey | KXUHSQYYJYAXGZ-UHFFFAOYSA-N |
Product Description
Applications: Isobutylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutylbenzene (CAS 538-93-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutylbenzene is a organic building block identified by CAS number 538-93-2 and the molecular formula C10H14 and a molecular weight of 134.11 g/mol. It is also known as ISOBUTYLBENZENE and (2-Methylpropyl)benzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isobutylbenzene
Property Insights of Isobutylbenzene
The XLogP value of 3.9 indicates that Isobutylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isobutylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isobutylbenzene?
The CAS number of Isobutylbenzene is 538-93-2.
What is the molecular formula of Isobutylbenzene?
The molecular formula of Isobutylbenzene is C10H14.
What is the molecular weight of Isobutylbenzene?
The molecular weight of Isobutylbenzene is 134.10954 g/mol.
What are the applications of Isobutylbenzene?
Isobutylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutylbenzene...
Where can I buy Isobutylbenzene?
You can request a quote for Isobutylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutylbenzene?
Yes, CoreyChem provides custom synthesis services for Isobutylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.