Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester
TL;DR: Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester (CAS 59231-35-5) is a chemical compound with molecular formula C19H38O2 and molecular weight 298.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylnonyl 3,5,5-trimethylhexanoate
Also Known As: Isodecyl isononanoate, Isodecyl 3,5,5-trimethylhexanoate, 8-methylnonyl 3,5,5-trimethylhexanoate, 3,5,5-trimethylhexanoic acid-isodecyl ester, Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester
| Molecular Formula | C19H38O2 |
|---|---|
| Molecular Weight | 298.29 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 298.28717 |
| Heavy Atoms | 21 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 59231-35-5 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)CC(C)CC(C)(C)C |
| InChIKey | KJMXWSCWFWQVEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester (CAS 59231-35-5), with molecular formula C19H38O2 and molecular weight 298.29 g/mol. IUPAC: 8-methylnonyl 3,5,5-trimethylhexanoate.
Chemical Property Profile of Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester
Property Insights of Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester
The XLogP value of 7.3 indicates that Hexanoic acid, 3,5,5-trimethyl-, 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, Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester 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 Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester?
The CAS number of Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester is 59231-35-5.
What is the molecular formula of Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester?
The molecular formula of Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester is C19H38O2.
What is the molecular weight of Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester?
The molecular weight of Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester is 298.29 g/mol.
Where can I buy Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester?
You can request a quote for Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 3,5,5-trimethyl-, isodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.