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2-Hydroxyethylmethylterephthalat
2-HYDROXYETHYL METHYL TEREPHTHALATE · 2-Hydroxyethylmethylterephthalat · Terephthalicacidhydroxyethylmethylester · 1-(2-Hydroxyethyl) 4-methyl terephthalate · 2-Hydroxyethyl Methyl Terephthalate, ≥ 97.0% · Terephthalic acid 2-hydroxyethyl methyl ester · 6-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehyde · Terephthalic acid 1-(2-hydroxyethyl)4-methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 3645-00-9 |
|---|---|
| Summenformel | C11H12O5 |
| Durchschnittliche Molmasse | 224,21 g/mol |
| Monoisotopische Masse | 224,06847348 g/mol |
| SMILES | COC(=O)c1ccc(C(=O)OCCO)cc1 |
| InChIKey | DJQMYWWZWUOCBQ-UHFFFAOYSA-N |
| PubChem CID | 77207 |
| EC No. | 222-877-0 |
| DTXSID | DTXSID9063112 |
| Lokaler Name | 2-Hydroxyethylmethylterephthalat |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 243 |
| Schmelzpunkt | 82 °C |
| Siedepunkt | 370.4±22.0 °C(Predicted) |
| Dichte | 1.250±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.79±0.10(Predicted) |
| Farbe | Off-White |
| InChI | 1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3 |
| InChIKey | DJQMYWWZWUOCBQ-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(cc1)C(=O)OCCO |
| EPA chemische Informationen | 2-Hydroxyethyl methyl terephthalate (3645-00-9) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2917.39.7000 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Hydroxyethyl Methyl Terephthalate is a derivative of polyethylene terepthalate comprised of terephthalic acid units (T112500), a benzenepolycarboxylic acid with potential anti-hemorrhagic properties.