Nonyl octyl phthalate
TL;DR: Nonyl octyl phthalate (CAS 88216-59-5) 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-nonyl 1-O-octyl benzene-1,2-dicarboxylate
Also Known As: nonyl octyl phthalate, Di-C8-10-alkyl phthalates, EINECS 275-809-7, Di-(C8-C10)alkyl 1,2-benzenedicarboxylate, Nonyl octyl benzene-1,2-dicarboxylate
| Molecular Formula | C25H40O4 |
|---|---|
| Molecular Weight | 404.29 g/mol |
| LogP | 7.1113 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 404.29266 |
| Heavy Atoms | 29 |
| Complexity | 567.6967 |
Chemical Identifiers
| CAS Number | 88216-59-5 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC |
Product Overview
Nonyl octyl phthalate (CAS 88216-59-5), with molecular formula C25H40O4 and molecular weight 404.29 g/mol. IUPAC: 2-O-nonyl 1-O-octyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Nonyl octyl phthalate
Property Insights of Nonyl octyl phthalate
The XLogP value of 7.1113 indicates that Nonyl 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, Nonyl octyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 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 Nonyl octyl phthalate?
The CAS number of Nonyl octyl phthalate is 88216-59-5.
What is the molecular formula of Nonyl octyl phthalate?
The molecular formula of Nonyl octyl phthalate is C25H40O4.
What is the molecular weight of Nonyl octyl phthalate?
The molecular weight of Nonyl octyl phthalate is 404.29 g/mol.
Where can I buy Nonyl octyl phthalate?
You can request a quote for Nonyl octyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl octyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl octyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.