HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzylnicotinat
NICOTINIC ACID BENZYL ESTER · yansuanbianzhi · Benzylnicotinat · Pykaryl · Pycaril · RUBRIMENT · niacinbenzylester · BENZYL NICOTINATE
Identifikatoren & physikalische Daten
| CAS No. | 94-44-0 |
|---|---|
| Summenformel | C13H11NO2 |
| Durchschnittliche Molmasse | 213,23 g/mol |
| Monoisotopische Masse | 213,07897859 g/mol |
| SMILES | O=C(OCc1ccccc1)c1cccnc1 |
| InChIKey | KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
| PubChem CID | 7191 |
| ChEMBL | CHEMBL209744 |
| ChEBI | CHEBI:31268 |
| EC No. | 202-332-3 |
| DTXSID | DTXSID7046542 |
| Lokaler Name | Benzylnicotinat |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 224 |
| Kosmetika | Antistatic |
| SpringerMaterials Properties | Dielectric constant |
| LogP (Verteilungskoeffizient) | 2.4 |
| Schmelzpunkt | 24 °C (lit.) |
| Siedepunkt | 177 °C/8 mmHg (lit.) |
| Dichte | 1,1165 g/cm3 |
| Brechungsindex | n20/D 1.570 |
| Flammpunkt | 170°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | 24°C Liquid |
| pKa (Säurekonstante) | 3.16±0.10(Predicted) |
| Farbe | Colourless to Light Beige |
| Merck | 14,6526 |
| BRN | 159169 |
| Kosmetik-Inhaltsstoffe Funktionen | ANTISTATICSKIN CONDITIONING |
| InChI | 1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIKey | KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
| SMILES | O=C(OCc1ccccc1)c2cccnc2 |
| LogP (Verteilungskoeffizient) | 2.400 |
| CAS Datenbank | 94-44-0(CAS DataBase Reference) |
| NIST chemische Informationen | Nicotinic acid, benzyl ester(94-44-0) |
| EPA chemische Informationen | 3-Pyridinecarboxylic acid, phenylmethyl ester (94-44-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.7% (1 of 135) of reports.WarningH315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 135 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzyl nicotinate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (98.5%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933399990 |
| RTECS-Nr. | QT0850000 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
benzyl nicotinate can increase skin oxygenation—thanks to vasodilatation properties—and help stimulate the healing process of wounded skin. It is an ester form of niacin (vitamin B), benzyl alcohol, and nicotinic acid.