Phenethyl octanoate
TL;DR: Phenethyl octanoate (CAS 6316-93-4) 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.
2-phenylethyl octanoate
Also Known As: Phenethyl octanoate, 2-Phenylethyl octanoate, Phenylethyl octanoate, 2-Phenethyl octanoate, Phenethyl caprylate
| 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 |
| Boiling Point | 295.00 to 296.00 °C. @ 760.00 mm Hg |
| Density | 0.973-0.977 (20°) |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.479-1.486 |
Chemical Identifiers
| CAS Number | 6316-93-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | ASETYIALRXDVDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl octanoate (CAS 6316-93-4), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: 2-phenylethyl octanoate.
Chemical Property Profile of Phenethyl octanoate
Property Insights of Phenethyl octanoate
The XLogP value of 5.1 indicates that Phenethyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl octanoate 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 Phenethyl octanoate?
The CAS number of Phenethyl octanoate is 6316-93-4.
What is the molecular formula of Phenethyl octanoate?
The molecular formula of Phenethyl octanoate is C16H24O2.
What is the molecular weight of Phenethyl octanoate?
The molecular weight of Phenethyl octanoate is 248.18 g/mol.
Where can I buy Phenethyl octanoate?
You can request a quote for Phenethyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.