Decyl nonyl phthalate
TL;DR: Decyl nonyl phthalate (CAS 96507-76-5) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-decyl 1-O-nonyl benzene-1,2-dicarboxylate
Also Known As: Decyl nonyl phthalate, DECYL NONYL BENZENE-1,2-DICARBOXYLATE, EINECS 306-154-8, Phthalic acid, decyl nonyl ester, 1-Decyl 2-nonyl 1,2-benzenedicarboxylate
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 7.8915 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 596.6542 |
Chemical Identifiers
| CAS Number | 96507-76-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC |
Product Overview
Decyl nonyl phthalate (CAS 96507-76-5), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: 2-O-decyl 1-O-nonyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Decyl nonyl phthalate
Property Insights of Decyl nonyl phthalate
The XLogP value of 7.8915 indicates that Decyl 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, Decyl nonyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 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 Decyl nonyl phthalate?
The CAS number of Decyl nonyl phthalate is 96507-76-5.
What is the molecular formula of Decyl nonyl phthalate?
The molecular formula of Decyl nonyl phthalate is C27H44O4.
What is the molecular weight of Decyl nonyl phthalate?
The molecular weight of Decyl nonyl phthalate is 432.32 g/mol.
Where can I buy Decyl nonyl phthalate?
You can request a quote for Decyl nonyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl nonyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Decyl nonyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.