Phenethyl decanoate
TL;DR: Phenethyl decanoate (CAS 61810-55-7) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl decanoate
Also Known As: Phenethyl decanoate, 2-Phenylethyl decanoate, Decanoic acid, 2-phenylethyl ester, Phenethyl=decanoate, PHENETHYL CAPRATE
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 61810-55-7 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCCC1=CC=CC=C1 |
| InChIKey | DDMQLUJPAGWJOB-UHFFFAOYSA-N |
Product Overview
Phenethyl decanoate (CAS 61810-55-7), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: 2-phenylethyl decanoate.
Chemical Property Profile of Phenethyl decanoate
Property Insights of Phenethyl decanoate
The XLogP value of 6.1 indicates that Phenethyl decanoate 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 decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl decanoate 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 decanoate?
The CAS number of Phenethyl decanoate is 61810-55-7.
What is the molecular formula of Phenethyl decanoate?
The molecular formula of Phenethyl decanoate is C18H28O2.
What is the molecular weight of Phenethyl decanoate?
The molecular weight of Phenethyl decanoate is 276.21 g/mol.
Where can I buy Phenethyl decanoate?
You can request a quote for Phenethyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.