| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM84720-2 |
| Product Name | Ethoxycarbonylmethyl ethyl phthalate |
| CAS | 84-72-0 |
| Structure |  |
| Synonyms | Ethyl phthalyl ethyl glycolate |
| IUPAC Name | 2-O-(2-Ethoxy-2-oxoethyl) 1-O-ethyl benzene-1,2-dicarboxylate |
| Molecular Weight | 280.27 |
| Molecular Formula | C14H16O6 |
| Canonical SMILES | CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC |
| InChI | InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | PZBLUWVMZMXIKZ-UHFFFAOYSA-N |
| Boiling Point | 320 °C |
| Melting Point | 13 °C |
| Flash Point | 185 °C |
| Purity | 95%+ |
| Density | 1.19 g/mL |
| Complexity | 352 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.09468823 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 280.09468823 |
| Physical State | Liquid |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 78.9 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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