Acetic acid, isodecyl ester
TL;DR: Acetic acid, isodecyl ester (CAS 69103-24-8) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylnonyl acetate
Also Known As: Isodecyl acetate, 8-methylnonyl acetate, iso-Decyl-acetate, Acetic acid, isodecyl ester, Acetic acid, isodecylester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 69103-24-8 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C |
| InChIKey | CRKWWBFTYGZTBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, isodecyl ester (CAS 69103-24-8), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 8-methylnonyl acetate.
Chemical Property Profile of Acetic acid, isodecyl ester
Property Insights of Acetic acid, isodecyl ester
The XLogP value of 4.2 indicates that Acetic acid, isodecyl 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, Acetic acid, isodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, isodecyl 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 Acetic acid, isodecyl ester?
The CAS number of Acetic acid, isodecyl ester is 69103-24-8.
What is the molecular formula of Acetic acid, isodecyl ester?
The molecular formula of Acetic acid, isodecyl ester is C12H24O2.
What is the molecular weight of Acetic acid, isodecyl ester?
The molecular weight of Acetic acid, isodecyl ester is 200.18 g/mol.
Where can I buy Acetic acid, isodecyl ester?
You can request a quote for Acetic acid, isodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, isodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, isodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.