HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hydroxypyruvic acid
3-hydroxy-2-oxopropanoic acid · 3-Hydroxypyruvate · β-hydroxypyruvic acid · hydroxypyruvic aci · 3-hydroxypyruvicaci · 3-HYDROXYPYRUVIC ACID · β-hydroxy Pyruvic Acid · -Hydroxypyruvic acid
Identifikatoren & physikalische Daten
| CAS No. | 1113-60-6 |
|---|---|
| Summenformel | C3H4O4 |
| Durchschnittliche Molmasse | 104,06 g/mol |
| Monoisotopische Masse | 104,01095861 g/mol |
| SMILES | O=C(O)C(=O)CO |
| InChIKey | HHDDCCUIIUWNGJ-UHFFFAOYSA-N |
| PubChem CID | 964 |
| ChEMBL | CHEMBL1230192 |
| ChEBI | CHEBI:30841 |
| EC No. | 619-885-5 |
| DTXSID | DTXSID40149588 |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 95,1 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in water at 50 g/l at 20�C and white petrolatum at <100 g/kg at 20�C(in ethanol)10mg/mL in PBS, pH7.2 |
| Siedepunkt | 257 °C252.9±23.0 °C(Predicted) |
| Physical Description | Solidwhite crystalline powder |
| Schmelzpunkt | 202℃ (ethanol ) |
| Dichte | 1.546±0.06 g/cm3(Predicted) |
| FEMA | 3843 | 3-HYDROXY-2-OXOPROPIONIC ACID |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 2.19±0.54(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white to light brown |
| Geruch | at 1.00 % in propylene glycol. sour radish cabbage |
| Geruchsart | sour |
| JECFA Number | 635 |
| InChI | 1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7) |
| InChIKey | HHDDCCUIIUWNGJ-UHFFFAOYSA-N |
| SMILES | OC(C(CO)=O)=O || OC(C(CO)=O)=O |
| LogP (Verteilungskoeffizient) | -2.04 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3261 8/PG 3 |
| R-Sätze (R) | 22-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Acute Tox. 4 OralSkin Corr. 1B |
Anwendungen & Verwendung
Occurrence
Reported found in blue cheese, provolone cheese, beer and cocoa
Verwenden
β-Hydroxypyruvic Acid is a metabolite involved in the pathway of carbon in photorespiration. It can also be used to treat fiber.