Isobutyl decanoate
TL;DR: Isobutyl decanoate (CAS 30673-38-2) 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.
2-methylpropyl decanoate
Also Known As: Isobutyl decanoate, 2-methylpropyl decanoate, isobutyl caprate, n-Capric acid isobutyl ester, Decanoic acid, 2-methylpropyl ester
| 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 | 30673-38-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(C)C |
| InChIKey | AXTPGRJJIGEOOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl decanoate (CAS 30673-38-2), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 2-methylpropyl decanoate.
Chemical Property Profile of Isobutyl decanoate
Property Insights of Isobutyl decanoate
The XLogP value of 5.5 indicates that Isobutyl 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, Isobutyl decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl decanoate?
The CAS number of Isobutyl decanoate is 30673-38-2.
What is the molecular formula of Isobutyl decanoate?
The molecular formula of Isobutyl decanoate is C14H28O2.
What is the molecular weight of Isobutyl decanoate?
The molecular weight of Isobutyl decanoate is 228.21 g/mol.
Where can I buy Isobutyl decanoate?
You can request a quote for Isobutyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.