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Isoamyl Laurate
FEMA 2077 · 3-Methylbutyl dodecanoate · ISOPENTYL LAURATE · SOAMYL LAURATE · ISOAMYL LAURATE · IsoamylLaurate>Isoamyl dodecanoate · ISOPENTYL DODECANOATE · ISOAMYL LAURATE 97+%
Identifikatoren & physikalische Daten
| CAS No. | 6309-51-9 |
|---|---|
| Summenformel | C17H34O2 |
| Durchschnittliche Molmasse | 270,5 g/mol |
| Monoisotopische Masse | 270,25588032 g/mol |
| SMILES | CCCCCCCCCCCC(=O)OCCC(C)C |
| InChIKey | FVKRIDSRWFEQME-UHFFFAOYSA-N |
| PubChem CID | 61386 |
| ChEBI | CHEBI:87343 |
| EC No. | 228-626-1 |
| DTXSID | DTXSID3064221 |
Chemische & physikalische Eigenschaften
| XLogP | 7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 199 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701] |
| Kosmetika | Cosmetic ingredients (Isoamyl Laurate) -> CIR (Cosmetic Ingredient Review)Skin conditioningEmollient |
| Duftstoffe | Fragrance Ingredient (Isoamyl laurate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.853-0.8590.856 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in alcoholinsoluble in water(in ethanol) |
| Siedepunkt | 311.00 to 312.00 °C. @ 760.00 mm Hg190 °C (20 mmHg)170 °C / 2mmHg |
| Brechungsindex | 1.434-1.439n20/D 1.436(lit.) |
| Physical Description | Liquidcolourless, oily liquid with a faint oily, fatty odour |
| Dampfdruck | 0.005Pa at 20℃ |
| FEMA | 2077 | ISOAMYL LAURATE |
| Flammpunkt | >230 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 100.00 %. wine waxy oily fatty peach |
| Geruchsart | waxy |
| Biologische Quelle | synthetic |
| JECFA Number | 182 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING |
| InChI | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | FVKRIDSRWFEQME-UHFFFAOYSA-N |
| SMILES | C(OCCC(C)C)(=O)CCCCCCCCCCC |
| LogP (Verteilungskoeffizient) | 7.43 |
| CAS Datenbank | 6309-51-9(CAS DataBase Reference) |
| EPA chemische Informationen | Dodecanoic acid, 3-methylbutyl ester (6309-51-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (18 of 18) of all reports.Not ClassifiedAggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Dodecanoic acid, 3-methylbutyl esterRegulation (EC) No 1831/2003 (amended)Dodecanoic acid, 3-methylbutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanoic acid, 3-methylbutyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: Isopentyl laurate (EC: 228-626-1)Dodecanoic acid, 3-methylbutyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| EPA Safer Chemical | Chemical: Isoamyl laurate |
| Hazard Classes and Categories | Not Classified |
| Toxizitätsübersicht | The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.Safe for use in cosmetics, with qualifications |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2915.90.5050 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
Isoamyl laurate has a very faint, oily, fatty odor and a fatty flavor.
Occurrence
Reported found at the 3% level in fusel oil from raisins, in grapes, beer, cognac, brandy, rum, malt whiskey, port and sparkling wine, plum wine, babaco fruit (Carica pentagona Heilborn) and sea buckthorn (Hippophae rhamnoides L.)