Isoamyl Laurate
Grundinformationen
- CAS
6309-51-9- Standard-SMILES
CCCCCCCCCCCC(=O)OCCC(C)C- InChIKey
FVKRIDSRWFEQME-UHFFFAOYSA-N- Summenformel
- C17H34O2
- Durchschnittliche Molmasse
- 270,5 g/mol
- Monoisotopische Masse
- 270,25588032
Überblick
3-methylbutyl dodecanoate is a fatty acid ester obtained by the formal condensation of dodecanoic acid with 3-methylbutan-1-ol. It has a role as a metabolite. It is functionally related to an isoamylol.
Namen und Bezeichner
- Bevorzugter Name
- Isoamyl Laurate
- IUPAC
- 3-methylbutyl dodecanoate
- Englischer Name
- ISOAMYL LAURATE
- Summenformel
- C17H34O2
- Molmasse
- 270.45
Namen und Synonyme
Isoamyl laurate6309-51-93-METHYLBUTYL DODECANOATEIsopentyl dodecanoateIsopentyl laurateDodecanoic acid, 3-methylbutyl esterIsopentyl dodecylateIsoamyl laurate (natural)UNII-M1SLX00M3MM1SLX00M3Miso-Amyl n-dodecanoateEINECS 228-626-1
Weitere Namen anzeigen
FEMA 2077SOAMYL LAURATEIsoamylLaurate>Isoamyl dodecanoateISOAMYL LAURATE 97+%
NSC 42577AI3-32001EC 228-626-1NSC-42577ISOAMYL LAURATE [FHFI]ISOAMYL LAURATE [INCI]DTXSID3064221CHEBI:87343
Datenbank-Bezeichner
- CAS
6309-51-9- PubChem CID
- 61386
- DTXSID
DTXSID3064221- ChEBI
CHEBI:87343- UNII
- M1SLX00M3M
- EC Number
- 228-626-1
- Nikkaji
- J149.865G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 199
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Cosmetics
Cosmetic ingredients (Isoamyl Laurate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emollient
FragrancesFragrance Ingredient (Isoamyl laurate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.853-0.859
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol; insoluble in water
(in ethanol)
Boiling Point
311.00 to 312.00 °C. @ 760.00 mm Hg
190 °C (20 mmHg)
Refractive Index1.434-1.439
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (18 of 18) of all reports.
Not Classified
Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Dodecanoic acid, 3-methylbutyl ester
Regulation (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
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
EPA Safer ChemicalChemical: Isoamyl laurate
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Toxicity Summary
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.
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
UsesCIR ingredient: Isoamyl Laurate
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesOther
Industry UsesLubricating agent
Household ProductsInformation on 5 consumer products that contain Isoamyl Laurate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Emollients
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Dodecanoic acid, 3-methylbutyl ester: ACTIVE
Anwendungen
BeschreibungIsoamyl laurate has a very faint, oily, fatty odor and a fatty flavor.
OccurrenceReported 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.)
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…