Cyclohexaneethyl acetate
TL;DR: Cyclohexaneethyl acetate (CAS 21722-83-8) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexylethyl acetate
Also Known As: 2-Cyclohexylethyl acetate, Cyclohexylethyl acetate, Cyclohexaneethyl acetate, Ethylcyclohexyl acetate, Cyclohexaneethanol, acetate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Boiling Point | 222.00 °C. @ 760.00 mm Hg |
| Density | 0.945-0.948 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.442-1.450 |
Chemical Identifiers
| CAS Number | 21722-83-8 |
|---|---|
| SMILES | CC(=O)OCCC1CCCCC1 |
| InChIKey | NOTFZGFABLVTIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexaneethyl acetate (CAS 21722-83-8), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-cyclohexylethyl acetate.
Chemical Property Profile of Cyclohexaneethyl acetate
Property Insights of Cyclohexaneethyl acetate
The XLogP value of 3.2 indicates that Cyclohexaneethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexaneethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneethyl acetate 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 Cyclohexaneethyl acetate?
The CAS number of Cyclohexaneethyl acetate is 21722-83-8.
What is the molecular formula of Cyclohexaneethyl acetate?
The molecular formula of Cyclohexaneethyl acetate is C10H18O2.
What is the molecular weight of Cyclohexaneethyl acetate?
The molecular weight of Cyclohexaneethyl acetate is 170.13 g/mol.
Where can I buy Cyclohexaneethyl acetate?
You can request a quote for Cyclohexaneethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.