3-Nonanol acetate
TL;DR: 3-Nonanol acetate (CAS 60826-15-5) 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.
nonan-3-yl acetate
Also Known As: nonan-3-yl acetate, 3-nonanol acetate, 3-nonyl acetate, 3-Nonanol, acetate, 3-acetoxynonane
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
| Density | 0.854-0.864 |
| Solubility | insoluble in water; soluble in fats and non-polar solvents |
| Refractive Index | 1.416-1.423 |
Chemical Identifiers
| CAS Number | 60826-15-5 |
|---|---|
| SMILES | CCCCCCC(CC)OC(=O)C |
| InChIKey | GPBFEZPGSQXMPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nonanol acetate (CAS 60826-15-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: nonan-3-yl acetate.
Chemical Property Profile of 3-Nonanol acetate
Property Insights of 3-Nonanol acetate
The XLogP value of 4.0 indicates that 3-Nonanol 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, 3-Nonanol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nonanol 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 3-Nonanol acetate?
The CAS number of 3-Nonanol acetate is 60826-15-5.
What is the molecular formula of 3-Nonanol acetate?
The molecular formula of 3-Nonanol acetate is C11H22O2.
What is the molecular weight of 3-Nonanol acetate?
The molecular weight of 3-Nonanol acetate is 186.16 g/mol.
Where can I buy 3-Nonanol acetate?
You can request a quote for 3-Nonanol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nonanol acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nonanol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.