| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM71888896-1 |
| Product Name | Diisoheptyl phthalate |
| CAS | 71888-89-6 |
| Structure |  |
| Synonyms | Bis(5-methylhexyl) phthalate |
| IUPAC Name | Bis(5-methylhexyl) benzene-1,2-dicarboxylate |
| Molecular Weight | 362.5 |
| Molecular Formula | C22H34O4 |
| Canonical SMILES | CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C |
| InChI | InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3 |
| InChIKey | RKELNIPLHQEBJO-UHFFFAOYSA-N |
| Boiling Point | 210°C (5mm) |
| Melting Point | -40°C |
| Flash Point | >230 °F |
| Density | 0.99 g/mL |
| Complexity | 365 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.24570956 |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 362.24570956 |
| Physical State | Liquid |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 52.6 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Viscosity | 50cs (20°C) |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
※ Please kindly note that our products are for research use only.
