Diundecyl phthalate
TL;DR: Diundecyl phthalate (CAS 3648-20-2) is a chemical compound with molecular formula C30H50O4 and molecular weight 474.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diundecyl benzene-1,2-dicarboxylate
Also Known As: DIUNDECYL PHTHALATE, Santicizer 711, Diundecylphthalate, Di-711-phthalate, Di-n-undecyl phthalate
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.37 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 446.0 |
| Melting Point | 35.5 °C |
| Density | 0.955 g/cu cm at 20 °C |
| Solubility | Insoluble (<1 mg/ml at 70 °F) (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Refractive Index | = 1.482 at 20 °C |
Chemical Identifiers
| CAS Number | 3648-20-2 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC |
| InChIKey | QQVHEQUEHCEAKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diundecyl phthalate (CAS 3648-20-2), with molecular formula C30H50O4 and molecular weight 474.37 g/mol. IUPAC: diundecyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Diundecyl phthalate
Property Insights of Diundecyl phthalate
The XLogP value of 12.3 indicates that Diundecyl 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, Diundecyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diundecyl 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 Diundecyl phthalate?
The CAS number of Diundecyl phthalate is 3648-20-2.
What is the molecular formula of Diundecyl phthalate?
The molecular formula of Diundecyl phthalate is C30H50O4.
What is the molecular weight of Diundecyl phthalate?
The molecular weight of Diundecyl phthalate is 474.37 g/mol.
Where can I buy Diundecyl phthalate?
You can request a quote for Diundecyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diundecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Diundecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.