Propylbenzene
TL;DR: Propylbenzene (CAS 103-65-1) is a chemical compound with molecular formula C9H12 and molecular weight 120.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propylbenzene
Also Known As: Propylbenzene, N-PROPYLBENZENE, 1-Phenylpropane, Phenylpropane, Isocumene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12 |
| Molecular Weight | 120.0939 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.0939 Da |
| Heavy Atoms | 9 |
| Complexity | 60.0 |
| Melting Point | -146.2 °F (USCG, 1999) |
| Boiling Point | 318.2 °F at 760 mmHg (USCG, 1999) |
| Density | 0.862 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 118 °F (USCG, 1999) |
| Vapor Pressure | 7.52 mmHg (USCG, 1999) |
| Refractive Index | Index of refraction: 1.4920 @ 20 °C/D |
| Solubility | Very slightly sol in water (0.06 g/l); sol in alcohol, ether |
| SMILES | CCCC1=CC=CC=C1 |
| InChIKey | ODLMAHJVESYWTB-UHFFFAOYSA-N |
Product Description
Applications: Propylbenzene 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 Propylbenzene (CAS 103-65-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Propylbenzene (CAS 103-65-1) is a organic building block with the molecular formula C9H12 and a molecular weight of 120.09 g/mol. Key physical properties include a density of 0.862 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Very slightly sol in water (0.06 g/l); sol in alcohol, ether. It is also known as Propylbenzene and N-PROPYLBENZENE.
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 Propylbenzene
Property Insights of Propylbenzene
The XLogP value of 3.7 indicates that Propylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Propylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylbenzene 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 Propylbenzene?
The CAS number of Propylbenzene is 103-65-1.
What is the molecular formula of Propylbenzene?
The molecular formula of Propylbenzene is C9H12.
What is the molecular weight of Propylbenzene?
The molecular weight of Propylbenzene is 120.0939 g/mol.
What are the applications of Propylbenzene?
Propylbenzene 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 Propylbenzene (CAS...
Where can I buy Propylbenzene?
You can request a quote for Propylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propylbenzene?
Yes, CoreyChem provides custom synthesis services for Propylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.