Diheptyl phthalate
TL;DR: Diheptyl phthalate (CAS 3648-21-3) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.2457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diheptyl benzene-1,2-dicarboxylate
Also Known As: DIHEPTYL PHTHALATE, Di-n-heptyl phthalate, Heptyl phthalate, Di-n-Heptylphthalate, diheptylphthalate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H34O4 |
| Molecular Weight | 362.2457 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 362.2457 Da |
| Heavy Atoms | 26 |
| Complexity | 344.0 |
| Boiling Point | 360 °C |
| Density | 1 at 68 °F (est.) (USCG, 1999) |
| Flash Point | 224 °C c.c. |
| Vapor Pressure | 0.00000207 [mmHg] |
| Solubility | Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/ |
| SMILES | CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC |
| InChIKey | JQCXWCOOWVGKMT-UHFFFAOYSA-N |
Chemical Property Profile of Diheptyl phthalate
Property Insights of Diheptyl phthalate
The XLogP value of 8.0 indicates that Diheptyl 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, Diheptyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diheptyl phthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Diheptyl phthalate?
The CAS number of Diheptyl phthalate is 3648-21-3.
What is the molecular formula of Diheptyl phthalate?
The molecular formula of Diheptyl phthalate is C22H34O4.
What is the molecular weight of Diheptyl phthalate?
The molecular weight of Diheptyl phthalate is 362.2457 g/mol.
Where can I buy Diheptyl phthalate?
You can request a quote for Diheptyl phthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diheptyl phthalate?
Yes, CoreyChem provides custom synthesis services for Diheptyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.