Isodecyl octyl phthalate
TL;DR: Isodecyl octyl phthalate (CAS 1330-96-7) 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-(8-methylnonyl) 1-O-octyl benzene-1,2-dicarboxylate
Also Known As: Dinopol ido, ISODECYL OCTYL PHTHALATE, Octyl isodecyl phthalate, Phthalic acid, isodecyl octyl ester, 1,2-Benzenedicarboxylic acid, isodecyl octyl ester
| 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 |
| Solubility | Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/ |
| Vapor Pressure | 0.00000011 [mmHg] |
Chemical Identifiers
| CAS Number | 1330-96-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C |
| InChIKey | UXLBXTIBYMXRNX-UHFFFAOYSA-N |
Product Overview
Isodecyl octyl phthalate (CAS 1330-96-7), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 2-O-(8-methylnonyl) 1-O-octyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Isodecyl octyl phthalate
Property Insights of Isodecyl octyl phthalate
The XLogP value of 9.8 indicates that Isodecyl octyl 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 octyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isodecyl octyl 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 octyl phthalate?
The CAS number of Isodecyl octyl phthalate is 1330-96-7.
What is the molecular formula of Isodecyl octyl phthalate?
The molecular formula of Isodecyl octyl phthalate is C26H42O4.
What is the molecular weight of Isodecyl octyl phthalate?
The molecular weight of Isodecyl octyl phthalate is 418.31 g/mol.
Where can I buy Isodecyl octyl phthalate?
You can request a quote for Isodecyl octyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodecyl octyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Isodecyl octyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.