| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM84764-3 |
| Product Name | Dinonyl phthalate |
| CAS | 84-76-4 |
| Structure |  |
| Synonyms | Di-n-nonyl phthalate |
| IUPAC Name | Dinonyl benzene-1,2-dicarboxylate |
| Molecular Weight | 418.6 |
| Molecular Formula | C26H42O4 |
| Canonical SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC |
| InChI | InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3 |
| InChIKey | DROMNWUQASBTFM-UHFFFAOYSA-N |
| Boiling Point | 279-287 °C |
| Melting Point | -33.15°C |
| Flash Point | 216 °C |
| Purity | 95% |
| Density | 0.98 g/mL |
| Complexity | 395 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.30830982 |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 418.30830982 |
| Physical State | Liquid |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 52.6 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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