HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Naphthylbutyrat
1-napthyl butyrate · 1-NAPHTHYLBUTYRAT · 1-phthyl butyrate · 1-NAPHTHYL BUTYRATE · A-NAPHTHYL BUTYRATE · 1-Naphthyl butanoate · 1-NAPHTHYL N-BUTYRATE · ALPHA-NAPHTHYL BUTYRATE
Identifikatoren & physikalische Daten
| CAS No. | 3121-70-8 |
|---|---|
| Summenformel | C14H14O2 |
| Durchschnittliche Molmasse | 214,26 g/mol |
| Monoisotopische Masse | 214,09937969 g/mol |
| SMILES | CCCC(=O)Oc1cccc2ccccc12 |
| InChIKey | XIVJNRXPRQKFRZ-UHFFFAOYSA-N |
| PubChem CID | 76571 |
| EC No. | 221-500-7 |
| DTXSID | DTXSID9062851 |
| Lokaler Name | 1-Naphthylbutyrat |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 237 |
| Schmelzpunkt | 95.5-96.5 °C |
| Siedepunkt | 125-130 °C1 mm Hg(lit.) |
| Dichte | 1.091 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.571(lit.) |
| Flammpunkt | 144 °F |
| Lagerbedingungen | -20°C |
| Löslichkeit | ethanol: 100mg/mL, clear, colorless to faintly yellow |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| BRN | 2558646 |
| InChI | 1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3 |
| InChIKey | XIVJNRXPRQKFRZ-UHFFFAOYSA-N |
| SMILES | CCCC(=O)Oc1cccc2ccccc12 |
| LogP (Verteilungskoeffizient) | 3.856 (est) |
| CAS Datenbank | 3121-70-8(CAS DataBase Reference) |
| EPA chemische Informationen | .alpha.-Naphthyl butyrate (3121-70-8) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Butanoic acid, 1-naphthalenyl esterButanoic acid, 1-naphthalenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29156000 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Naphthyl butyrate has been used as a substrate for esterase activity in sheep body louse Bovicola ovis and in chromogenic staining of flounder fish samples.