Isobutyl Stearate
TL;DR: Isobutyl Stearate (CAS 646-13-9) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl octadecanoate
Also Known As: ISOBUTYL STEARATE, 2-Methylpropyl octadecanoate, isobutyl octadecanoate, Isocaproic acid, Uniflex IBYS
| Molecular Formula | C22H44O2 |
|---|---|
| Molecular Weight | 340.33 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 340.33414 |
| Heavy Atoms | 24 |
| Complexity | 261.0 |
| Melting Point | 28.9 °C |
| Boiling Point | 223 °C @ 15 mm Hg |
| Density | 0.8498 @ 20 °C |
| Solubility | Very sol in ether |
| Vapor Pressure | 0.0000279 [mmHg] |
Chemical Identifiers
| CAS Number | 646-13-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C)C |
| InChIKey | ORFWYUFLWUWSFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl Stearate (CAS 646-13-9), with molecular formula C22H44O2 and molecular weight 340.33 g/mol. IUPAC: 2-methylpropyl octadecanoate.
Chemical Property Profile of Isobutyl Stearate
Property Insights of Isobutyl Stearate
The XLogP value of 9.9 indicates that Isobutyl Stearate 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 Stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl Stearate 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 Stearate?
The CAS number of Isobutyl Stearate is 646-13-9.
What is the molecular formula of Isobutyl Stearate?
The molecular formula of Isobutyl Stearate is C22H44O2.
What is the molecular weight of Isobutyl Stearate?
The molecular weight of Isobutyl Stearate is 340.33 g/mol.
Where can I buy Isobutyl Stearate?
You can request a quote for Isobutyl Stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl Stearate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl Stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.