HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hexyldihydrofuran-2(3H)-on
2(3H)-Furanone, 3-hexyldihydro- · Einecs 242-316-3 · alpha-Decalactone · A-HEXYL-G-BUTYROLACTONE · 3-hexyldihydro-2(3h)-furanon · 3-hexyldihydrofuran-2(3H)-one · 3-Hexyldihydro-2(3H)-furanone · ALPHA-HEXYL-GAMMA-BUTYROLACTONE
Identifikatoren & physikalische Daten
| CAS No. | 18436-37-8 |
|---|---|
| Summenformel | C10H18O2 |
| Durchschnittliche Molmasse | 170,25 g/mol |
| Monoisotopische Masse | 170,13067982 g/mol |
| SMILES | CCCCCCC1CCOC1=O |
| InChIKey | IBVDLVUXSDSVQF-UHFFFAOYSA-N |
| PubChem CID | 86736 |
| ChEMBL | CHEMBL478639 |
| EC No. | 242-316-3 |
| DTXSID | DTXSID7047437 |
| Lokaler Name | 3-Hexyldihydrofuran-2(3H)-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 143 |
| Duftstoffe | Fragrance Ingredient (3-Hexyldihydrofuran-2(3H)-one) -> IFRA transparency List |
| Siedepunkt | 146 °C / 16mmHg |
| Dichte | 0,96 g/cm3 |
| Geruch | at 100.00 %. floral sweet grassy fruity green coconut |
| Geruchsart | green |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 2.451 (est) |
| CAS Datenbank | 18436-37-8 |
| EPA chemische Informationen | 2(3H)-Furanone, 3-hexyldihydro- (18436-37-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 70.3% (90 of 128) of all reports.WarningH319 (29.7%): 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 128 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2(3H)-Furanone, 3-hexyldihydro-2(3H)-Furanone, 3-hexyldihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2(3H)-Furanone, 3-hexyldihydro-: Human health tier I assessment |
| Hazard Classes and Categories | Eye Irrit. 2 (29.7%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2932190090 |
| R-Sätze (R) | 20/21/22-36/37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
Alpha-hexyl-gamma-butyrolactone has been suggested for usc in perfume compositions as a modifier for the more conventional lactoncs. It produces interesting variations in the fruity background notes of heavy Ambrc-like perfumes, and it does not produce the overly sweet or heavy - fruity notes often derived from Undccanolitlc.