2-丁基辛醇
TL;DR: 2-丁基辛醇 (CAS 3913-02-8) is a chemical compound with molecular formula C12H26O and molecular weight 186.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁基辛醇
2-butyloctan-1-ol
Also Known As: 2-BUTYL-1-OCTANOL, 2-Butyloctan-1-ol, Butyloctanol, 2-Butyloctanol, 2-Butyloctyl alcohol
| Molecular Formula | C12H26O |
|---|---|
| Molecular Weight | 186.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.19836 |
| Heavy Atoms | 13 |
| Complexity | 91.0 |
| Boiling Point | 145.00 to 149.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 3913-02-8 |
|---|---|
| SMILES | CCCCCCC(CCCC)CO |
| InChIKey | XMVBHZBLHNOQON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁基辛醇 (CAS 3913-02-8), with molecular formula C12H26O and molecular weight 186.20 g/mol. IUPAC: 2-butyloctan-1-ol.
Chemical Property Profile of 2-丁基辛醇
Property Insights of 2-丁基辛醇
The XLogP value of 4.8 indicates that 2-丁基辛醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-丁基辛醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁基辛醇 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-丁基辛醇?
The CAS number of 2-丁基辛醇 is 3913-02-8.
What is the molecular formula of 2-丁基辛醇?
The molecular formula of 2-丁基辛醇 is C12H26O.
What is the molecular weight of 2-丁基辛醇?
The molecular weight of 2-丁基辛醇 is 186.20 g/mol.
Where can I buy 2-丁基辛醇?
You can request a quote for 2-丁基辛醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁基辛醇?
Yes, KEHONG BIO provides custom synthesis services for 2-丁基辛醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.