Linalylbutyrat
FEMA 2639 · NSC 46144 · Linalylbutyrat · LILYL BUTYRATE · LINALYL BUTYRATE · Linalyl butanoate · LINALYLn-BUTYRATE · Linalool butyrate
Identifikatoren & physikalische Daten
| CAS No. | 78-36-4 |
|---|---|
| Summenformel | C14H24O2 |
| Durchschnittliche Molmasse | 224,344 g/mol |
| Monoisotopische Masse | 224,17763001 g/mol |
| SMILES | C=CC(C)(CCC=C(C)C)OC(=O)CCC |
| InChIKey | FHLGUOHLUFIAAA-UHFFFAOYSA-N |
| PubChem CID | 62321 |
| ChEBI | CHEBI:171782 |
| EC No. | 201-109-8 |
| DTXSID | DTXSID20861635 |
| Lokaler Name | Linalylbutyrat |
Chemische & physikalische Eigenschaften
| Siedepunkt | 80-82 °C0.2 mm Hg(lit.) |
|---|---|
| Dichte | 0.892 g/mL at 25 °C(lit.) |
| FEMA | 2639 | LINALYL BUTYRATE |
| Brechungsindex | n20/D 1.45(lit.) |
| Flammpunkt | 218 °F |
| Löslichkeit | Almost insoluble in water, soluble in alcohol and oils |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.90 |
| Geruch | at 100.00 %. bergamot fruity banana berry |
| Geruchsart | floral |
| Biologische Quelle | synthetic |
| JECFA Number | 361 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3 |
| InChIKey | FHLGUOHLUFIAAA-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OC(C)(CC\C=C(\C)C)C=C |
| LogP (Verteilungskoeffizient) | 4.90 |
| EPA chemische Informationen | Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester (78-36-4) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2915.60.5000 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Chronic 2 |
Anwendungen & Verwendung
Beschreibung
Linalyl butyrate has a fruity note with a bergamot-like undertone. The flavor reminiscent of certain types of honey on dilution. It is moderately stable.
Occurrence
Reported found in the oil of Artemisia porrecta var. coerulea, lavender oil and kumquat peel oil.
Verwenden
Linalyl butyrate finds use in perfume compositions mainly for Lavender notes in Colognes (Citrus-colognes), Fougères, and in many types of Lilac, Muguet, Cassie, Peony and other floral bases. It is furthermore used in flavor compositions for imitation Banana, Butter, Grape, Honey, Loganberry, Melon, Peach, Pear, Pineapple, Plum, and in Caramel flavors, Citrus blends, fruit complexes, Spice blends, Nut flavors, Rose or other floral types, etc. The concentration is normally low, about 0.1 up to 15 ppm in the finished product.
Herstellung & Synthese
synthetische
Analogous to that of geranyl butyrate.