乙酸癸酯
TL;DR: 乙酸癸酯 (CAS 112-17-4) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸癸酯
decyl acetate
Also Known As: DECYL ACETATE, n-Decyl acetate, Acetic acid, decyl ester, Decyl ethanoate, 1-Decanol acetate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
| Melting Point | -15 °C |
| Boiling Point | 126.00 to 127.00 °C. @ 20.00 mm Hg |
| Density | 0.861-0.866 |
| Solubility | insoluble in water |
| Vapor Pressure | 0.00347 [mmHg] |
| Refractive Index | 1.424-1.430 |
Chemical Identifiers
| CAS Number | 112-17-4 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C |
| InChIKey | NUPSHWCALHZGOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸癸酯 (CAS 112-17-4), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: decyl acetate.
Chemical Property Profile of 乙酸癸酯
Property Insights of 乙酸癸酯
The XLogP value of 4.5 indicates that 乙酸癸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸癸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸癸酯 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 乙酸癸酯?
The CAS number of 乙酸癸酯 is 112-17-4.
What is the molecular formula of 乙酸癸酯?
The molecular formula of 乙酸癸酯 is C12H24O2.
What is the molecular weight of 乙酸癸酯?
The molecular weight of 乙酸癸酯 is 200.18 g/mol.
Where can I buy 乙酸癸酯?
You can request a quote for 乙酸癸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸癸酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸癸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.