1-Methyl-4-pentylbenzene
TL;DR: 1-Methyl-4-pentylbenzene (CAS 1595-09-1) is a chemical compound with molecular formula C12H18 and molecular weight 162.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-pentylbenzene
Also Known As: 1-methyl-4-pentylbenzene, p-pentyltoluene, Benzene, 1-methyl-4-pentyl-, 4-Pentyltoluene, 1-Methyl-4-n-Pentylbenzene
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18 |
| Molecular Weight | 162.14085 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.14085 Da |
| Heavy Atoms | 12 |
| Complexity | 98.0 |
| SMILES | CCCCCC1=CC=C(C=C1)C |
| InChIKey | LGKMWHPZOZYYTQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-4-pentylbenzene
Property Insights of 1-Methyl-4-pentylbenzene
The XLogP value of 5.3 indicates that 1-Methyl-4-pentylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-4-pentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-pentylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-pentylbenzene?
The CAS number of 1-Methyl-4-pentylbenzene is 1595-09-1.
What is the molecular formula of 1-Methyl-4-pentylbenzene?
The molecular formula of 1-Methyl-4-pentylbenzene is C12H18.
What is the molecular weight of 1-Methyl-4-pentylbenzene?
The molecular weight of 1-Methyl-4-pentylbenzene is 162.14085 g/mol.
Where can I buy 1-Methyl-4-pentylbenzene?
You can request a quote for 1-Methyl-4-pentylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-pentylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-pentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.