Benzyl hexanoate
TL;DR: Benzyl hexanoate (CAS 6938-45-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl hexanoate
Also Known As: BENZYL HEXANOATE, Benzyl caproate, Benzyl n-hexanoate, Hexanoic acid, phenylmethyl ester, BENZYLHEXANOATE
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
| Density | 0.980-0.990 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.480-1.490 |
Chemical Identifiers
| CAS Number | 6938-45-0 |
|---|---|
| SMILES | CCCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | HRSXWUSONDBHSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl hexanoate (CAS 6938-45-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: benzyl hexanoate.
Chemical Property Profile of Benzyl hexanoate
Property Insights of Benzyl hexanoate
The XLogP value of 3.9 indicates that Benzyl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl hexanoate 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 Benzyl hexanoate?
The CAS number of Benzyl hexanoate is 6938-45-0.
What is the molecular formula of Benzyl hexanoate?
The molecular formula of Benzyl hexanoate is C13H18O2.
What is the molecular weight of Benzyl hexanoate?
The molecular weight of Benzyl hexanoate is 206.13 g/mol.
Where can I buy Benzyl hexanoate?
You can request a quote for Benzyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.