HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 14124Erstellt: 26. Oktober 2026
Vanilpyruvic acid
vanilpyruvic acid · Vanylpyruvic acid · Hydroxymethoxyphenylpyruvicacid · 3-Methoxy-4-hydroxyphenylpyruvic acid · 4-HYDROXY-3-METHOXYPHENYLPYRUVIC ACID · 3-(4-hydroxy-3-methoxy-phenyl)-2-keto-propionic acid
https://huagongshe.com/de/chemical/14124
Identifikatoren & physikalische Daten
| CAS No. | 1081-71-6 |
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| Summenformel | C10H10O5 |
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| Durchschnittliche Molmasse | 210,18 g/mol |
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| Monoisotopische Masse | 210,05282342 g/mol |
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| SMILES | COc1cc(CC(=O)C(=O)O)ccc1O |
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| InChIKey | YGQHQTMRZPHIBB-UHFFFAOYSA-N |
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| PubChem CID | 14124 |
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| ChEBI | CHEBI:88402 |
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| EC No. | 634-613-5 |
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| DTXSID | DTXSID10148407 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 83,8 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 250 |
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| Physical Description | Solid |
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| Schmelzpunkt | 161 °C |
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| Siedepunkt | 402.0±35.0 °C(Predicted) |
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| Dichte | 1.374±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | -20°C |
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| Löslichkeit | DMSO : ≥ 27 mg/mL (128.46 mM) |
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| pKa (Säurekonstante) | 2.41±0.54(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Yellow to Orange |
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| CAS Datenbank | 1081-71-6 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.5%): 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 40 reports by companies from 3 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 (97.5%) |
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| Zollcode | 2918.99.4700 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-36 |
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