Linalylcinnamat
FEMA 2641 · NSC 46163 · Linalylcinnamat · LINALYL CINNAMATE · Linallyl Cinnamate · cinnamicacid,linalylester · LINALYL CINNAMATE USP/EP/BP · 6-octadien-3-ol,3,7-dimethyl-cinnamate
Identifikatoren & physikalische Daten
| CAS No. | 78-37-5 |
|---|---|
| Summenformel | C19H24O2 |
| Durchschnittliche Molmasse | 284,4 g/mol |
| Monoisotopische Masse | 284,17763 g/mol |
| SMILES | C=CC(C)(CCC=C(C)C)OC(=O)C=Cc1ccccc1 |
| InChIKey | DPFUEXLIKDHJNB-UHFFFAOYSA-N |
| PubChem CID | 6533 |
| ChEMBL | CHEMBL3185111 |
| DTXSID | DTXSID4047410 |
| Lokaler Name | Linalylcinnamat |
Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 396 |
| Siedepunkt | 396℃ |
| Dichte | 0.989 |
| Brechungsindex | 1.4709 (estimate) |
| FEMA | 2641 | LINALYL CINNAMATE |
| Flammpunkt | 216℃ |
| Lagerbedingungen | 2-8°C |
| Farbe | An almost colourless oily or slightly viscous liquid |
| Geruch | at 100.00 %. sweet balsam lily neroli labdanum amber |
| Geruchsart | balsamic |
| JECFA Number | 668 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 6.04 |
| CAS Datenbank | 78-37-5 |
| EPA chemische Informationen | 2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester (78-37-5) |
Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
|---|---|
| Toxizität | The acute oral LD50 value in rats was reported as 9.96 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits exceeded 5 g/kg |
Anwendungen & Verwendung
Beschreibung
Linalyl cinnamate has a sweet, persistent odor with soft floral notes. It is clearly balsamic. It has a slightly fruity flavor. May be synthesized from linalyl formate plus methylcinnamate and sodium linalool: by "Roche" method from dehydrolinalool and cinnamic acid via the dehydro ester, which is hydrolyzed to the subject compound.
Occurrence
Has apparently not been reported to occur in nature
Verwenden
It is used as a fragrance in soaps, detergents, creams, lotions, and perfumes.
Herstellung & Synthese
synthetische
From linalyl formate plus methylcinnamate and sodium linalool; by “Roche” method from dehydrolinalool and cinnamic acid via the dehydro ester, which is hydrolyzed to the subject compound.