Decyl benzoate
TL;DR: Decyl benzoate (CAS 36685-97-9) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl benzoate
Also Known As: Decyl benzoate, Benzoic acid, decyl ester, decylbenzoate, n-decyl benzoate, Octyl benzoate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 36685-97-9 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | CUSUFTNOPPMGBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl benzoate (CAS 36685-97-9), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: decyl benzoate.
Chemical Property Profile of Decyl benzoate
Property Insights of Decyl benzoate
The XLogP value of 6.8 indicates that Decyl 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, Decyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 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 Decyl benzoate?
The CAS number of Decyl benzoate is 36685-97-9.
What is the molecular formula of Decyl benzoate?
The molecular formula of Decyl benzoate is C17H26O2.
What is the molecular weight of Decyl benzoate?
The molecular weight of Decyl benzoate is 262.19 g/mol.
Where can I buy Decyl benzoate?
You can request a quote for Decyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Decyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.