Diisohexyl phthalate
TL;DR: Diisohexyl phthalate (CAS 71850-09-4) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylpentyl) benzene-1,2-dicarboxylate
Also Known As: DIISOHEXYL PHTHALATE, Bis(4-methylpentyl) phthalate, Diisohexyl phthalte, di-isohexyl phthalate, Bis(4-methylpentyl)phthalate
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 71850-09-4 |
|---|---|
| SMILES | CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C |
| InChIKey | ALEROMXYYSQFLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisohexyl phthalate (CAS 71850-09-4), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: bis(4-methylpentyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Diisohexyl phthalate
Property Insights of Diisohexyl phthalate
The XLogP value of 6.3 indicates that Diisohexyl 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, Diisohexyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisohexyl 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 Diisohexyl phthalate?
The CAS number of Diisohexyl phthalate is 71850-09-4.
What is the molecular formula of Diisohexyl phthalate?
The molecular formula of Diisohexyl phthalate is C20H30O4.
What is the molecular weight of Diisohexyl phthalate?
The molecular weight of Diisohexyl phthalate is 334.21 g/mol.
Where can I buy Diisohexyl phthalate?
You can request a quote for Diisohexyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisohexyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Diisohexyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.