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Natrium-4-methyl-2-oxovalerat
4-METHYL-2-OXOVALERIC ACID SODIUM SALT · 4-METHYL-2-OXOPENTANOIC ACID SODIUM SALT · Ketoleucine sodium · Sodium ketoisocaproat · Sodium ketoisocaproate · KETOLEUCINE SODIUM SALT · SodiuM α-oxoisocaproate · SodiuM 2-Ketoisocaproate
Identifikatoren & physikalische Daten
| CAS No. | 4502-00-5 |
|---|---|
| Summenformel | C6H9NaO3 |
| Durchschnittliche Molmasse | 152,12 g/mol |
| Monoisotopische Masse | 152,04493843 g/mol |
| SMILES | CC(C)CC(=O)C(=O)[O-].[Na+] |
| InChIKey | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| PubChem CID | 4137900 |
| ChEMBL | CHEMBL2142054 |
| EC No. | 224-816-3 |
| DTXSID | DTXSID70196363 |
| Lokaler Name | Natrium-4-methyl-2-oxovalerat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 57,2 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 131 |
| Löslichkeit | Soluble in waterSoluble (in ethanol)Water (Slightly) |
| Physical Description | White powderslight fruity aroma |
| Schmelzpunkt | 275 °C (dec.)(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Geruch | at 100.00 %. butyric valeric buttery |
| Geruchsart | buttery |
| Biologische Quelle | synthetic |
| JECFA Number | 633.1 |
| BRN | 4239297 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/q+1/p-1 |
| InChIKey | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| LogP (Verteilungskoeffizient) | 0.17 |
| CAS Datenbank | 4502-00-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Pentanoic acid, 4-methyl-2-oxo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 24/25-22 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Occurrence
Reported found in banana, asparagus, cheese, white wine, cocoa, blue cheese and provolone cheese.
Verwenden
4-Methyl-2-oxovaleric Acid is an α-ketomonocarboxylic acid that triggers insulin release by acting upon receptor sites which differ from those occupied by amino acids. 4-Methyl-2-oxovaleric Acid is an intermediate in the metabolism of Leucine.