Propanoic acid, isooctyl ester
TL;DR: Propanoic acid, isooctyl ester (CAS 9036-63-9) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl propanoate
Also Known As: isooctyl propionate, Isooctyl acrylate polymer, 6-methylheptyl propanoate, Isooctyl acrylate homopolymer, Isooctanol, propanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 9036-63-9 |
|---|---|
| SMILES | CCC(=O)OCCCCCC(C)C |
| InChIKey | AIAMDEVDYXNNEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, isooctyl ester (CAS 9036-63-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 6-methylheptyl propanoate.
Chemical Property Profile of Propanoic acid, isooctyl ester
Property Insights of Propanoic acid, isooctyl ester
The XLogP value of 3.7 indicates that Propanoic acid, isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, isooctyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, isooctyl ester?
The CAS number of Propanoic acid, isooctyl ester is 9036-63-9.
What is the molecular formula of Propanoic acid, isooctyl ester?
The molecular formula of Propanoic acid, isooctyl ester is C11H22O2.
What is the molecular weight of Propanoic acid, isooctyl ester?
The molecular weight of Propanoic acid, isooctyl ester is 186.16 g/mol.
Where can I buy Propanoic acid, isooctyl ester?
You can request a quote for Propanoic acid, isooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.