Benzene, 1-methyl-2-octyl
TL;DR: Benzene, 1-methyl-2-octyl (CAS 79835-99-7) is a chemical compound with molecular formula C15H24 and molecular weight 204.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-octylbenzene
Also Known As: 1-methyl-2-octylbenzene, Octyltoluene, 2-tolyloctane, Benzene, 1-methyl-2-octyl, 2-Octyltoluene
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 79835-99-7 |
|---|---|
| SMILES | CCCCCCCCC1=CC=CC=C1C |
| InChIKey | RJAGGBZNYDYEPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-2-octyl (CAS 79835-99-7), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: 1-methyl-2-octylbenzene.
Chemical Property Profile of Benzene, 1-methyl-2-octyl
Property Insights of Benzene, 1-methyl-2-octyl
The XLogP value of 6.8 indicates that Benzene, 1-methyl-2-octyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-methyl-2-octyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-2-octyl 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 Benzene, 1-methyl-2-octyl?
The CAS number of Benzene, 1-methyl-2-octyl is 79835-99-7.
What is the molecular formula of Benzene, 1-methyl-2-octyl?
The molecular formula of Benzene, 1-methyl-2-octyl is C15H24.
What is the molecular weight of Benzene, 1-methyl-2-octyl?
The molecular weight of Benzene, 1-methyl-2-octyl is 204.19 g/mol.
Where can I buy Benzene, 1-methyl-2-octyl?
You can request a quote for Benzene, 1-methyl-2-octyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-2-octyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-2-octyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.