2-十一烷酮
TL;DR: 2-十一烷酮 (CAS 112-12-9) is a chemical compound with molecular formula C11H22O and molecular weight 170.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-十一烷酮
undecan-2-one
Also Known As: 2-Undecanone, Undecan-2-one, Methyl nonyl ketone, 2-Hendecanone, Rue ketone
| Molecular Formula | C11H22O |
|---|---|
| Molecular Weight | 170.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 170.16707 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
| Melting Point | 15 °C |
| Boiling Point | 231.5 °C |
| Density | 0.8260 to 0.8263 at 20 °C |
| Solubility | Insoluble in water. Soluble in ethanol, ether, acetone, benzene, carbon tetrachloride, chloroform. |
| Flash Point | 88.9 °C (89 °C) (Closed cup) |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | = 1.4291 at 20 °C |
Chemical Identifiers
| CAS Number | 112-12-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)C |
| InChIKey | KYWIYKKSMDLRDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-十一烷酮 (CAS 112-12-9), with molecular formula C11H22O and molecular weight 170.17 g/mol. IUPAC: undecan-2-one.
Chemical Property Profile of 2-十一烷酮
Property Insights of 2-十一烷酮
The XLogP value of 4.1 indicates that 2-十一烷酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-十一烷酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-十一烷酮 has 0 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 2-十一烷酮?
The CAS number of 2-十一烷酮 is 112-12-9.
What is the molecular formula of 2-十一烷酮?
The molecular formula of 2-十一烷酮 is C11H22O.
What is the molecular weight of 2-十一烷酮?
The molecular weight of 2-十一烷酮 is 170.17 g/mol.
Where can I buy 2-十一烷酮?
You can request a quote for 2-十一烷酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-十一烷酮?
Yes, KEHONG BIO provides custom synthesis services for 2-十一烷酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.