1-Butyl-3-ethylbenzene
TL;DR: 1-Butyl-3-ethylbenzene (CAS 126028-51-1) 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-butyl-3-ethylbenzene
Also Known As: 1-Butyl-3-ethylbenzene, m-ethylbutylbenzene, m-Ethyl-n-butylbenzene, 1-Ethyl-3-n-Butylbenzene, 1-Ethyl-3-butylbenzene
Technical Specifications
| Molecular Formula | C12H18 |
| Molecular Weight | 162.14085 g/mol |
| XLogP | 5.2 |
| 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 | 107.0 |
| SMILES | CCCCC1=CC=CC(=C1)CC |
| InChIKey | IBQJOCAGNFEEKY-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-3-ethylbenzene
Property Insights of 1-Butyl-3-ethylbenzene
The XLogP value of 5.2 indicates that 1-Butyl-3-ethylbenzene 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-Butyl-3-ethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-ethylbenzene 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-Butyl-3-ethylbenzene?
The CAS number of 1-Butyl-3-ethylbenzene is 126028-51-1.
What is the molecular formula of 1-Butyl-3-ethylbenzene?
The molecular formula of 1-Butyl-3-ethylbenzene is C12H18.
What is the molecular weight of 1-Butyl-3-ethylbenzene?
The molecular weight of 1-Butyl-3-ethylbenzene is 162.14085 g/mol.
Where can I buy 1-Butyl-3-ethylbenzene?
You can request a quote for 1-Butyl-3-ethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-3-ethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-3-ethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.