HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-Hydroxy-o-tolyl-β-D-glucopyranosid
SALICIN · D-SALICIN · Salicine · SALICOSIDE · WHITE WILLOW · Salicylin · Salicin-RM · SALICIN(RG)
Identifikatoren & physikalische Daten
| CAS No. | 138-52-3 |
|---|---|
| Summenformel | C13H18O7 |
| Durchschnittliche Molmasse | 286,28 g/mol |
| Monoisotopische Masse | 286,10525291 g/mol |
| SMILES | OCc1ccccc1OC1OC(CO)C(O)C(O)C1O |
| InChIKey | NGFMICBWJRZIBI-UHFFFAOYSA-N |
| PubChem CID | 5145 |
| ChEMBL | CHEMBL315895 |
| Lokaler Name | α-Hydroxy-o-tolyl-β-D-glucopyranosid |
Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 120 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 300 |
| Schmelzpunkt | 196-202 °C |
| Siedepunkt | 388.65°C (rough estimate) |
| Dichte | 1.4340 |
| Brechungsindex | -62 ° (C=3, H2O) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 36g/l36 g/L (15 ºC), 250 g/L (60 ºC) |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | 12.80±0.70(Predicted) |
| Farbe | White |
| Merck | 14,8324 |
| BRN | 89593 |
| Stabilität | Stable, but light sensitive. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 |
| InChIKey | NGFMICBWJRZIBI-MICYEWLZSA-N |
| SMILES | OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O |
| LogP (Verteilungskoeffizient) | -1.232 (est) |
| CAS Datenbank | 138-52-3(CAS DataBase Reference) |
| NIST chemische Informationen | Salicin(138-52-3) |
| EPA chemische Informationen | .beta.-D-Glucopyranoside, 2-(hydroxymethyl)phenyl (138-52-3) |
Sicherheit & Vorschriften
| Regulatorische Informationen | .beta.-D-Glucopyranoside, 2-(hydroxymethyl)phenyl: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - .beta.-D-Glucopyranoside, 2-(hydroxymethyl)phenyl: Environment tier I assessment |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29389090 |
| RTECS-Nr. | LZ5901700 |
| R-Sätze (R) | 43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 36/37-37-24/25-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
D-(-)-Salicin has been used:to study its in vitro anticoagulant and antiplatelet activitiesas a standard in high performance liquid chromatography method (HPLC) for quantitation of salicin from willow plantas a tastant in taste threshold assayas a constituent of nutrient agar-salicin medium for selective isolation of Lactobacillus paracasei