Undecylbenzene
TL;DR: Undecylbenzene (CAS 6742-54-7) is a chemical compound with molecular formula C17H28 and molecular weight 232.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecylbenzene
Also Known As: UNDECYLBENZENE, 1-Phenylundecane, n-Undecylbenzene, Undecanylbenzene, Benzene, undecyl-
| Molecular Formula | C17H28 |
|---|---|
| Molecular Weight | 232.22 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 10 |
| Exact Mass | 232.2191 |
| Heavy Atoms | 17 |
| Complexity | 144.0 |
| Melting Point | -5.0 °C |
| Boiling Point | 316.1 °C at 760 mmHg |
| Density | 0.855 at 20.0 °C - Less dense than water; will float |
| Flash Point | 140.6 °C |
| Vapor Pressure | 0.000242 [mmHg] |
| Refractive Index | 1.4828 @ 20 °C |
Chemical Identifiers
| CAS Number | 6742-54-7 |
|---|---|
| SMILES | CCCCCCCCCCCC1=CC=CC=C1 |
| InChIKey | XBEADGFTLHRJRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Undecylbenzene (CAS 6742-54-7), with molecular formula C17H28 and molecular weight 232.22 g/mol. IUPAC: undecylbenzene.
Chemical Property Profile of Undecylbenzene
Property Insights of Undecylbenzene
The XLogP value of 8.2 indicates that Undecylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Undecylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Undecylbenzene?
The CAS number of Undecylbenzene is 6742-54-7.
What is the molecular formula of Undecylbenzene?
The molecular formula of Undecylbenzene is C17H28.
What is the molecular weight of Undecylbenzene?
The molecular weight of Undecylbenzene is 232.22 g/mol.
Where can I buy Undecylbenzene?
You can request a quote for Undecylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Undecylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.