HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
L-(-)-3-phenylmilchsure
L-3-PHENYLLACTIC ACID · (S)-2-HYDROXY-3-PHENYLPROPANOIC ACID · -(?)-3-PhenyL · PHENYL L-LACTIC ACID · L-(-)-3-Phenyllactic · L-B-PHENYLLACTIC ACID · (S)-3-phenyllacticaci · L-β-Phenyllactic acid
Identifikatoren & physikalische Daten
| CAS No. | 20312-36-1 |
|---|---|
| Summenformel | C9H10O3 |
| Durchschnittliche Molmasse | 166,17 g/mol |
| Monoisotopische Masse | 166,06299418 g/mol |
| SMILES | O=C(O)[C@@H](O)Cc1ccccc1 |
| InChIKey | VOXXWSYKYCBWHO-QMMMGPOBSA-N |
| PubChem CID | 444718 |
| ChEBI | CHEBI:43065 |
| EC No. | 243-726-5 |
| DTXSID | DTXSID801342710 |
| Lokaler Name | L-(-)-3-phenylmilchsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 1.184 |
| Schmelzpunkt | 122-124 °C123-125 °C |
| Physical Description | Solid |
| Siedepunkt | 254.38°C (rough estimate) |
| Dichte | 1.1708 (rough estimate) |
| Brechungsindex | -21 ° (C=2, H2O) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Acetone (Sparingly), Chloroform (Slightly, Heated), DMSO, Methanol (Slightly)soluble |
| Aggregatzustand | Powder, Crystals or Flakes |
| pKa (Säurekonstante) | 3.72±0.10(Predicted) |
| Farbe | White to grey to beige-brown |
| BRN | 2209792 |
| InChI | 1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1 |
| InChIKey | VOXXWSYKYCBWHO-QMMMGPOBSA-N |
| SMILES | O[C@@H](Cc1ccccc1)C(O)=O |
| CAS Datenbank | 20312-36-1(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. |
|---|---|
| Regulatorische Informationen | Benzenepropanoic acid, .alpha.-hydroxy-, (.alpha.S)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2A (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29181980 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 22-24/25-45-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
L-(-)-3-Phenyllactic Acid is used in the synthetic preparation of peptidomimetics as neuropeptide S receptor agonists as well as many other useful compounds.