| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM84639 |
| Product Name | Bis(4-methyl-2-pentyl) phthalate |
| CAS | 84-63-9 |
| Structure |  |
| Synonyms | Phthalic acid bis(4-methyl-2-pentyl) ester |
| IUPAC Name | Bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate |
| Molecular Weight | 334.4 |
| Molecular Formula | C20H30O4 |
| Canonical SMILES | CC(C)CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CC(C)C |
| InChI | InChI=1S/C20H30O4/c1-13(2)11-15(5)23-19(21)17-9-7-8-10-18(17)20(22)24-16(6)12-14(3)4/h7-10,13-16H,11-12H2,1-6H3 |
| InChIKey | UAFXUVUVOTXFND-UHFFFAOYSA-N |
| Boiling Point | 174 °C |
| Density | 0.995 g/cm3 |
| Complexity | 364 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.21440943 |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 334.21440943 |
| Physical State | Solid |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 52.6 Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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![Mono[2-(carboxymethyl)hexyl] phthalate](https://resource.alfa-chemistry.com/structure/82975-93-7.gif)
