| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM2050239-1 |
| Product Name | Diethyl suberate |
| CAS | 2050-23-9 |
| Structure |  |
| Synonyms | Ethyl suberate |
| IUPAC Name | Diethyl octanedioate |
| Molecular Weight | 230.3 |
| Molecular Formula | C12H22O4 |
| Canonical SMILES | CCOC(=O)CCCCCCC(=O)OCC |
| InChI | InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3 |
| InChIKey | PEUGOJXLBSIJQS-UHFFFAOYSA-N |
| Boiling Point | 282 °C |
| Melting Point | 5 °C |
| Flash Point | >230 °F |
| Purity | 98%+ |
| Density | 0.982 g/mL |
| Complexity | 179 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.15180918 |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 230.15180918 |
| Physical State | Liquid |
| Rotatable Bond Count | 11 |
| 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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