Isoamyl decanoate
TL;DR: Isoamyl decanoate (CAS 2306-91-4) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl decanoate
Also Known As: Isoamyl decanoate, Isopentyl decanoate, 3-Methylbutyl decanoate, isoamyl caprate, Decanoic acid, 3-methylbutyl ester
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
| Boiling Point | 286.00 to 287.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 2306-91-4 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCCC(C)C |
| InChIKey | XDOGFYDZGUDBQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl decanoate (CAS 2306-91-4), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: 3-methylbutyl decanoate.
Chemical Property Profile of Isoamyl decanoate
Property Insights of Isoamyl decanoate
The XLogP value of 5.9 indicates that Isoamyl 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, Isoamyl decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 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 Isoamyl decanoate?
The CAS number of Isoamyl decanoate is 2306-91-4.
What is the molecular formula of Isoamyl decanoate?
The molecular formula of Isoamyl decanoate is C15H30O2.
What is the molecular weight of Isoamyl decanoate?
The molecular weight of Isoamyl decanoate is 242.22 g/mol.
Where can I buy Isoamyl decanoate?
You can request a quote for Isoamyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.