Diisohexyl phthalate
TL;DR: Diisohexyl phthalate (CAS 71850-09-4) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.21442 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 334.21442 Da |
| Heavy Atoms | 24 |
| Complexity | 340.0 |
| SMILES | CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C |
| InChIKey | ALEROMXYYSQFLX-UHFFFAOYSA-N |
Product Description
Applications: Diisohexyl phthalate is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A polymer intermediate supplied by CoreyChem, Diisohexyl phthalate (CAS 71850-09-4) has the molecular formula C20H30O4 and a molecular weight of 334.21 g/mol. Synonyms include DIISOHEXYL PHTHALATE and Bis(4-methylpentyl) phthalate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 334.21442 g/mol.
What are the applications of Diisohexyl phthalate?
Diisohexyl phthalate is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to...
Where can I buy Diisohexyl phthalate?
You can request a quote for Diisohexyl phthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisohexyl phthalate?
Yes, CoreyChem provides custom synthesis services for Diisohexyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.