乙酸环己酯
TL;DR: 乙酸环己酯 (CAS 622-45-7) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸环己酯
cyclohexyl acetate
Also Known As: CYCLOHEXYL ACETATE, Hexalin acetate, Adronal acetate, Cyclohexanyl acetate, Cyclohexanolazetat
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| Melting Point | Freezing point = -65 °C |
| Boiling Point | 176.7 °C at 760 mmHg |
| Density | 0.966 - Less dense than water; will float |
| Solubility | Very soluble in ethyl ether and ethanol. |
| Flash Point | 57.8 °C |
| Vapor Pressure | 11.0 [mmHg] |
| Refractive Index | = 1.442 at 20 °C |
Chemical Identifiers
| CAS Number | 622-45-7 |
|---|---|
| SMILES | CC(=O)OC1CCCCC1 |
| InChIKey | YYLLIJHXUHJATK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸环己酯 (CAS 622-45-7), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: cyclohexyl acetate.
Chemical Property Profile of 乙酸环己酯
Property Insights of 乙酸环己酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸环己酯. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸环己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸环己酯 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 乙酸环己酯?
The CAS number of 乙酸环己酯 is 622-45-7.
What is the molecular formula of 乙酸环己酯?
The molecular formula of 乙酸环己酯 is C8H14O2.
What is the molecular weight of 乙酸环己酯?
The molecular weight of 乙酸环己酯 is 142.10 g/mol.
Where can I buy 乙酸环己酯?
You can request a quote for 乙酸环己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸环己酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸环己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.