癸酸甲酯
TL;DR: 癸酸甲酯 (CAS 110-42-9) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
癸酸甲酯
methyl decanoate
Also Known As: METHYL DECANOATE, Methyl caprate, Methyl caprinate, Methyl-n-caprate, Methyl n-caprate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| Melting Point | -18 °C |
| Boiling Point | 224 °C @ 760 mm Hg |
| Density | 0.8730 @ 20 °C |
| Solubility | Insol in water; very sol in ethyl alc, ether; slightly sol in chloroform, carbon tetrachloride |
| Vapor Pressure | 0.03 [mmHg] |
| Refractive Index | 1.4259 @ 20 °C |
Chemical Identifiers
| CAS Number | 110-42-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC |
| InChIKey | YRHYCMZPEVDGFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
癸酸甲酯 (CAS 110-42-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: methyl decanoate.
Chemical Property Profile of 癸酸甲酯
Property Insights of 癸酸甲酯
The XLogP value of 4.7 indicates that 癸酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 癸酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 癸酸甲酯 has 0 hydrogen bond donor(s) and 2 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 癸酸甲酯?
The CAS number of 癸酸甲酯 is 110-42-9.
What is the molecular formula of 癸酸甲酯?
The molecular formula of 癸酸甲酯 is C11H22O2.
What is the molecular weight of 癸酸甲酯?
The molecular weight of 癸酸甲酯 is 186.16 g/mol.
Where can I buy 癸酸甲酯?
You can request a quote for 癸酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 癸酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 癸酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.