HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-on
HEXAHYDROCOUMARIN · 3,4,5,6,7,8-Hexahydrocoumarin · 3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2-one · 2H-1-Benzopyran-2-one, 3,4,5,6,7,8-hexahydro- · 3,4,5,6,7,8-Hexahydrocoumarin 100 μg/mL in Acetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 700-82-3 |
|---|---|
| Summenformel | C9H12O2 |
| Durchschnittliche Molmasse | 152,19 g/mol |
| Monoisotopische Masse | 152,08372962 g/mol |
| SMILES | O=C1CCC2=C(CCCC2)O1 |
| InChIKey | ODFRBYOJLDRSKF-UHFFFAOYSA-N |
| PubChem CID | 69694 |
| EC No. | 211-851-4 |
| DTXSID | DTXSID80220269 |
| Lokaler Name | 3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 216 |
| Duftstoffe | Fragrance substance (Hexahydrocoumarin) -> IFRA amendment 40 |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Geruch | at 100.00 %. coconut tonka |
| Geruchsart | coconut |
| Stabilität | Hygroscopic |
| LogP (Verteilungskoeffizient) | 1.890 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 234 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2H-1-Benzopyran-2-one, 3,4,5,6,7,8-hexahydro-2H-1-Benzopyran-2-one, 3,4,5,6,7,8-hexahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Sens. 1B (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Hexahydrocoumarin,is the derivative of Coumarin (C755380). It was formerly used as a fragrance ingredient.