Isononyl nonyl phthalate
TL;DR: Isononyl nonyl phthalate (CAS 98088-97-2) 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-(7-methyloctyl) 1-O-nonyl benzene-1,2-dicarboxylate
Also Known As: Isononyl nonyl phthalate, isononylnonylphthalate, 7-methyloctyl nonyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylicacid, isononyl nonyl ester (9CI), 2-O-(7-methyloctyl) 1-O-nonyl 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 | 98088-97-2 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C |
| InChIKey | FPSWXWPCCZQQSP-UHFFFAOYSA-N |
Product Overview
Isononyl nonyl phthalate (CAS 98088-97-2), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: 2-O-(7-methyloctyl) 1-O-nonyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Isononyl nonyl phthalate
Property Insights of Isononyl nonyl phthalate
The XLogP value of 9.8 indicates that Isononyl nonyl 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, Isononyl nonyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isononyl nonyl 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 Isononyl nonyl phthalate?
The CAS number of Isononyl nonyl phthalate is 98088-97-2.
What is the molecular formula of Isononyl nonyl phthalate?
The molecular formula of Isononyl nonyl phthalate is C26H42O4.
What is the molecular weight of Isononyl nonyl phthalate?
The molecular weight of Isononyl nonyl phthalate is 418.31 g/mol.
Where can I buy Isononyl nonyl phthalate?
You can request a quote for Isononyl nonyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isononyl nonyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Isononyl nonyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.