Benzyl nonanoate
TL;DR: Benzyl nonanoate (CAS 6471-66-5) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl nonanoate
Also Known As: Benzyl nonanoate, Benzyl nonan-1-oate, Benzyl n-nonanoate, Nonanoic acid, phenylmethyl ester, benzylnonan-1-oate
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 207.0 |
| Density | 0.953-0.959 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.481-1.487 |
Chemical Identifiers
| CAS Number | 6471-66-5 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | KVIQEJMWUXBBQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl nonanoate (CAS 6471-66-5), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: benzyl nonanoate.
Chemical Property Profile of Benzyl nonanoate
Property Insights of Benzyl nonanoate
The XLogP value of 5.1 indicates that Benzyl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl nonanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl nonanoate?
The CAS number of Benzyl nonanoate is 6471-66-5.
What is the molecular formula of Benzyl nonanoate?
The molecular formula of Benzyl nonanoate is C16H24O2.
What is the molecular weight of Benzyl nonanoate?
The molecular weight of Benzyl nonanoate is 248.18 g/mol.
Where can I buy Benzyl nonanoate?
You can request a quote for Benzyl nonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.