2-Ethylhexyl nonyl phthalate
TL;DR: 2-Ethylhexyl nonyl phthalate (CAS 85851-86-1) is a chemical compound with molecular formula C25H40O4 and molecular weight 404.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-ethylhexyl) 1-O-nonyl benzene-1,2-dicarboxylate
Also Known As: 2-Ethylhexyl nonyl phthalate, EINECS 288-646-1, 2-Ethylhexyl nonyl benzene-1,2-dicarboxylate, 2-O-(2-ethylhexyl) 1-O-nonyl benzene-1,2-dicarboxylate, 1-(2-ethylhexyl) 2-nonyl benzene-1,2-dicarboxylate
| Molecular Formula | C25H40O4 |
|---|---|
| Molecular Weight | 404.29 g/mol |
| LogP | 6.9672 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 404.29266 |
| Heavy Atoms | 29 |
| Complexity | 581.94104 |
Chemical Identifiers
| CAS Number | 85851-86-1 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
Product Overview
2-Ethylhexyl nonyl phthalate (CAS 85851-86-1), with molecular formula C25H40O4 and molecular weight 404.29 g/mol. IUPAC: 2-O-(2-ethylhexyl) 1-O-nonyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-Ethylhexyl nonyl phthalate
Property Insights of 2-Ethylhexyl nonyl phthalate
The XLogP value of 6.9672 indicates that 2-Ethylhexyl 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, 2-Ethylhexyl nonyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 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 2-Ethylhexyl nonyl phthalate?
The CAS number of 2-Ethylhexyl nonyl phthalate is 85851-86-1.
What is the molecular formula of 2-Ethylhexyl nonyl phthalate?
The molecular formula of 2-Ethylhexyl nonyl phthalate is C25H40O4.
What is the molecular weight of 2-Ethylhexyl nonyl phthalate?
The molecular weight of 2-Ethylhexyl nonyl phthalate is 404.29 g/mol.
Where can I buy 2-Ethylhexyl nonyl phthalate?
You can request a quote for 2-Ethylhexyl nonyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl nonyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl nonyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.