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HCID 79980Erstellt: 26. Oktober 2026
Diethyl-2,5-dihydroxyterephthalat
Patents · DIETHYL 2,5-DIHYDROXYTEREPHTHALATE · DIETHYL 2 5-DIHYDROXYTEREPHTHALATE 98% · iethyl2,5-dihydroxybenzene-1,4-dicarboxylate · 2,5-Dihydroxyterephthalic acid diethyl ester · diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate · 4-benzenedicarboxylicacid,2,5-dihydroxy-diethylester · 1,4-Benzendicarboxylicacid,2,5-dihydroxy-,diethylester
https://huagongshe.com/de/chemical/79980
Identifikatoren & physikalische Daten
| CAS No. | 5870-38-2 |
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| Summenformel | C12H14O6 |
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| Durchschnittliche Molmasse | 254,24 g/mol |
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| Monoisotopische Masse | 254,07903817 g/mol |
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| SMILES | CCOC(=O)c1cc(O)c(C(=O)OCC)cc1O |
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| InChIKey | UQOUOXLHXPHDHF-UHFFFAOYSA-N |
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| PubChem CID | 79980 |
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| ChEMBL | CHEMBL4532056 |
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| EC No. | 227-522-3 |
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| DTXSID | DTXSID5064045 |
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| Lokaler Name | Diethyl-2,5-dihydroxyterephthalat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 93,1 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 273 |
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| Schmelzpunkt | 135-137 °C(lit.) |
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| Siedepunkt | 408.5±40.0 °C(Predicted) |
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| Dichte | 1.303±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| pKa (Säurekonstante) | 9.59±0.23(Predicted) |
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| InChI | InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3 |
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| InChIKey | UQOUOXLHXPHDHF-UHFFFAOYSA-N |
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| SMILES | C1(C(OCC)=O)=CC(O)=C(C(OCC)=O)C=C1O |
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| EPA chemische Informationen | 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diethyl ester (5870-38-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.WarningH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diethyl ester |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29182900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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