Decyl isooctyl phthalate
TL;DR: Decyl isooctyl phthalate (CAS 53363-96-5) 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.
1-O-decyl 2-O-(6-methylheptyl) benzene-1,2-dicarboxylate
Also Known As: Decyl isooctyl phthalate, Isooctyl decyl phthalate, decylisooctylphthalate, decyl 6-methylheptyl benzene-1,2-dicarboxylate, 1-O-decyl 2-O-(6-methylheptyl) benzene-1,2-dicarboxylate
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 53363-96-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C |
| InChIKey | GMPAVBYNZCOKOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl isooctyl phthalate (CAS 53363-96-5), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 1-O-decyl 2-O-(6-methylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Decyl isooctyl phthalate
Property Insights of Decyl isooctyl phthalate
The XLogP value of 9.8 indicates that Decyl 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, Decyl isooctyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 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 Decyl isooctyl phthalate?
The CAS number of Decyl isooctyl phthalate is 53363-96-5.
What is the molecular formula of Decyl isooctyl phthalate?
The molecular formula of Decyl isooctyl phthalate is C26H42O4.
What is the molecular weight of Decyl isooctyl phthalate?
The molecular weight of Decyl isooctyl phthalate is 418.31 g/mol.
Where can I buy Decyl isooctyl phthalate?
You can request a quote for Decyl isooctyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl isooctyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Decyl isooctyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.