| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM2306334-2 |
| Product Name | Monoethyl Phthalate |
| CAS | 2306-33-4 |
| Structure |  |
| Synonyms | Phthalic acid 1-ethyl |
| IUPAC Name | 2-Ethoxycarbonylbenzoic acid |
| Molecular Weight | 194.18 |
| Molecular Formula | C10H10O4 |
| Canonical SMILES | CCOC(=O)C1=CC=CC=C1C(=O)O |
| InChI | InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12) |
| InChIKey | YWWHKOHZGJFMIE-UHFFFAOYSA-N |
| Boiling Point | 250.62 °C |
| Melting Point | 46-48 °C |
| Purity | 98% |
| Density | 1.0583 g/mL |
| Complexity | 224 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.0579088 |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 194.0579088 |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6 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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