Nonyl benzoate
TL;DR: Nonyl benzoate (CAS 5451-95-6) 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.
nonyl benzoate
Also Known As: Nonyl benzoate, Nonylbenzoat, n-nonyl benzoate, Benzoic acid nonyl ester, Benzoic acid, nonylester
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 6.2 |
| 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 |
Chemical Identifiers
| CAS Number | 5451-95-6 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | VUHMHACHBVTPMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonyl benzoate (CAS 5451-95-6), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: nonyl benzoate.
Chemical Property Profile of Nonyl benzoate
Property Insights of Nonyl benzoate
The XLogP value of 6.2 indicates that Nonyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl benzoate 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 Nonyl benzoate?
The CAS number of Nonyl benzoate is 5451-95-6.
What is the molecular formula of Nonyl benzoate?
The molecular formula of Nonyl benzoate is C16H24O2.
What is the molecular weight of Nonyl benzoate?
The molecular weight of Nonyl benzoate is 248.18 g/mol.
Where can I buy Nonyl benzoate?
You can request a quote for Nonyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.