Isodecyl isooctyl phthalate
TL;DR: Isodecyl isooctyl phthalate (CAS 42343-35-1) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate
Also Known As: Isodecyl isooctyl phthalate, ISOOCTYL ISODECYL PHTHALATE, 2-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, isodecyl isooctyl ester, 1-(6-Methylheptyl) 2-(8-methylnonyl) phthalate #
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 42343-35-1 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C |
| InChIKey | DISOBDRLYQMQDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isodecyl isooctyl phthalate (CAS 42343-35-1), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 2-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Isodecyl isooctyl phthalate
Property Insights of Isodecyl isooctyl phthalate
The XLogP value of 9.6 indicates that Isodecyl isooctyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Isodecyl isooctyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isodecyl isooctyl phthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isodecyl isooctyl phthalate?
The CAS number of Isodecyl isooctyl phthalate is 42343-35-1.
What is the molecular formula of Isodecyl isooctyl phthalate?
The molecular formula of Isodecyl isooctyl phthalate is C26H42O4.
What is the molecular weight of Isodecyl isooctyl phthalate?
The molecular weight of Isodecyl isooctyl phthalate is 418.31 g/mol.
Where can I buy Isodecyl isooctyl phthalate?
You can request a quote for Isodecyl isooctyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodecyl isooctyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Isodecyl isooctyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.