HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78385Erstellt: 26. Oktober 2026
3-(2-Thenoyl)propionsaeure
4-OXO-4-(THIOPHEN-2-YL)BUTANOIC ACID · 4-Oxo-4-(thiophen-2-yl) · 3-(2-THENOYL)PROPIONIC ACID · 3-(2-Theonyl)Propionic acid · γ-Oxo-2-thiophenebutyric acid · γ-Oxo-2-thiophenebutanoic acid · 4-OXO-4-THIEN-2-YLBUTANOIC ACID · 3-(ALPHA-THENOYL)PROPIONIC ACID
https://huagongshe.com/de/chemical/78385
Identifikatoren & physikalische Daten
| CAS No. | 4653-08-1 |
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| Summenformel | C8H8O3S |
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| Durchschnittliche Molmasse | 184,21 g/mol |
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| Monoisotopische Masse | 184,01941512 g/mol |
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| SMILES | O=C(O)CCC(=O)c1cccs1 |
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| InChIKey | ULJMYWHLMLRYSO-UHFFFAOYSA-N |
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| PubChem CID | 78385 |
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| ChEMBL | CHEMBL4463491 |
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| ChEBI | CHEBI:64434 |
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| EC No. | 225-089-5 |
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| DTXSID | DTXSID10196867 |
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| Lokaler Name | 3-(2-Thenoyl)propionsaeure |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 82,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 191 |
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| Schmelzpunkt | 118-121 °C(lit.) |
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| Siedepunkt | 400.5±25.0 °C(Predicted) |
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| Dichte | 1.334±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 4.44±0.17(Predicted) |
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| BRN | 133870 |
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| InChI | 1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11) |
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| InChIKey | ULJMYWHLMLRYSO-UHFFFAOYSA-N |
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| SMILES | OC(=O)CCC(=O)c1cccs1 |
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| CAS Datenbank | 4653-08-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | Yes |
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| Zollcode | 29349990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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