Decyl isobutyrate
TL;DR: Decyl isobutyrate (CAS 5454-22-8) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-methylpropanoate
Also Known As: Decyl isobutyrate, Decyl 2-methylpropanoate, Cimigenoside, decylisobutyrate, Decyl isobutanoate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 5454-22-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C(C)C |
| InChIKey | HGOZECVJNYXKMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl isobutyrate (CAS 5454-22-8), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: decyl 2-methylpropanoate.
Chemical Property Profile of Decyl isobutyrate
Property Insights of Decyl isobutyrate
The XLogP value of 5.5 indicates that Decyl isobutyrate 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 isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl isobutyrate 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 isobutyrate?
The CAS number of Decyl isobutyrate is 5454-22-8.
What is the molecular formula of Decyl isobutyrate?
The molecular formula of Decyl isobutyrate is C14H28O2.
What is the molecular weight of Decyl isobutyrate?
The molecular weight of Decyl isobutyrate is 228.21 g/mol.
Where can I buy Decyl isobutyrate?
You can request a quote for Decyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Decyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.