HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
DL-Valin
Val · DL-VAL · FEMA 3444 · H-DL-VAL-OH · NSC 9755 · DL-Val-OH · DL-VALINE · Valine, DL-
Identifikatoren & physikalische Daten
| CAS No. | 516-06-3 |
|---|---|
| Summenformel | C5H11NO2 |
| Durchschnittliche Molmasse | 117,15 g/mol |
| Monoisotopische Masse | 117,07897859 g/mol |
| SMILES | CC(C)[C@H](N)C(=O)O |
| InChIKey | KZSNJWFQEVHDMF-BYPYZUCNSA-N |
| PubChem CID | 6287 |
| ChEMBL | CHEMBL43068 |
| ChEBI | CHEBI:16414 |
| EC No. | 200-773-6 |
| DTXSID | DTXSID40883233 |
| Lokaler Name | DL-Valin |
Chemische & physikalische Eigenschaften
| XLogP | -2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 90 |
| Schmelzpunkt | 295 °C (dec.) (lit.) |
| Siedepunkt | 213.6±23.0 °C(Predicted) |
| Dichte | 1.31 |
| Brechungsindex | 1.4650 (estimate) |
| FEMA | 3444 | D,L-VALINE |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Water (Slightly, Sonicated)68 g/L |
| pKa (Säurekonstante) | pK1:2.32(+1)pK2:9.61(0) (25°C) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| Geruch | Odorless |
| Geruchsart | odorless |
| Biologische Quelle | synthetic |
| Merck | 14,9909 |
| JECFA Number | 1426 |
| BRN | 506689 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONINGFRAGRANCEANTISTATICHAIR CONDITIONING |
| InChI | 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) |
| InChIKey | KZSNJWFQEVHDMF-UHFFFAOYSA-N |
| SMILES | CC(C)C(N)C(O)=O |
| LogP (Verteilungskoeffizient) | 0.29 |
| CAS Datenbank | 516-06-3(CAS DataBase Reference) |
| NIST chemische Informationen | DL-Valine(516-06-3) |
| EPA chemische Informationen | Valine (516-06-3) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29224995 |
| RTECS-Nr. | YV9355500 |
| R-Sätze (R) | 40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Occurrence
Reported found in many fruits, plants and animal tissues; in milk and dairy products.
Herstellung & Synthese
synthetische
By the action of ammonia on α-bromoisovaleric acid; also through a hydantoin intermediate.