乙酸辛酯
TL;DR: 乙酸辛酯 (CAS 112-14-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸辛酯
octyl acetate
Also Known As: Octyl acetate, n-Octyl acetate, Caprylyl acetate, 1-Octyl acetate, Octyl ethanoate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
| Melting Point | -38.5 °C |
| Boiling Point | 206.00 to 211.00 °C. @ 760.00 mm Hg |
| Density | 0.865-0.868 |
| Solubility | miscible with alcohol, most fixed oils, organic solvents; insoluble in water |
| Vapor Pressure | 0.4 [mmHg] |
| Refractive Index | 1.418-1.421 |
Chemical Identifiers
| CAS Number | 112-14-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C |
| InChIKey | YLYBTZIQSIBWLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸辛酯 (CAS 112-14-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: octyl acetate.
Chemical Property Profile of 乙酸辛酯
Property Insights of 乙酸辛酯
The XLogP value of 3.4 indicates that 乙酸辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸辛酯 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 乙酸辛酯?
The CAS number of 乙酸辛酯 is 112-14-1.
What is the molecular formula of 乙酸辛酯?
The molecular formula of 乙酸辛酯 is C10H20O2.
What is the molecular weight of 乙酸辛酯?
The molecular weight of 乙酸辛酯 is 172.15 g/mol.
Where can I buy 乙酸辛酯?
You can request a quote for 乙酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.