Diallyl phthalate
TL;DR: Diallyl phthalate (CAS 131-17-9) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) benzene-1,2-dicarboxylate
Also Known As: DIALLYL PHTHALATE, Allyl phthalate, Diallylphthalate, Dapon R, Dapon 35
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| Melting Point | -70.0 °C |
| Boiling Point | 290.0 °C at 760 mmHg |
| Density | 1.12 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 110.0 °C |
| Vapor Pressure | 0.00116 [mmHg] |
Chemical Identifiers
| CAS Number | 131-17-9 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C |
| InChIKey | QUDWYFHPNIMBFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl phthalate (CAS 131-17-9), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: bis(prop-2-enyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Diallyl phthalate
Property Insights of Diallyl phthalate
The XLogP value of 3.2 indicates that Diallyl 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, Diallyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl phthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diallyl phthalate?
The CAS number of Diallyl phthalate is 131-17-9.
What is the molecular formula of Diallyl phthalate?
The molecular formula of Diallyl phthalate is C14H14O4.
What is the molecular weight of Diallyl phthalate?
The molecular weight of Diallyl phthalate is 246.09 g/mol.
Where can I buy Diallyl phthalate?
You can request a quote for Diallyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.