Ethyldecanoat
Ethyl caprate
Grundinformationen
- CAS
110-38-3- Standard-SMILES
CCCCCCCCCC(=O)OCC- InChIKey
RGXWDWUGBIJHDO-UHFFFAOYSA-N- Summenformel
- C12H24O2
- Durchschnittliche Molmasse
- 200,32 g/mol
- Monoisotopische Masse
- 200,17763
Überblick
Ethyl decanoate is a fatty acid ethyl ester of decanoic acid. It has a role as a metabolite. It is a fatty acid ethyl ester and a decanoate ester.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl caprate
- IUPAC
- ethyl decanoate
- Lokaler Name
- Ethyldecanoat
- Englischer Name
- Ethyl caprate
- Summenformel
- C12H24O2
- Molmasse
- 200.32
Namen und Synonyme
ETHYL DECANOATEEthyl caprate110-38-3Ethyl decylateDecanoic acid, ethyl esterCapric acid ethyl esterFEMA No. 2432DTXSID0044363GY39FB86UONSC-8909DTXCID8024363CHEBI:87430
Weitere Namen anzeigen
Ethyl DecenoateFEMA 2432Decanoic acid ethylZolpidemumETHYLCAPRINAT
RefChem:138908203-761-9Decanoic Acid Ethyl EsterEthyl caprinateEthyl n-decanoateCapric acid, ethyl esterNSC 8909Decanoic acid-ethyl ester
Datenbank-Bezeichner
- CAS
110-38-3- PubChem CID
- 8048
- DTXSID
DTXSID0044363- ChEMBL
CHEMBL3184829- ChEBI
CHEBI:87430- UNII
- GY39FB86UO
- EC Number
- 203-761-9
- Nikkaji
- J1.974G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 132
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl decanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.863-0.868
Flavoring AgentsEU Flavoring substances
Solubility
0.0159 mg/mL at 25 °C
Soluble in most fixed oils, insoluble in glycerol and propylene glycol
1ml in 4ml 80% ethanol (in ethanol)
Boiling Point
241.00 to 245.00 °C. @ 760.00 mm Hg
243 °C
Melting Point-20 °C
Refractive Index
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% (1642 of 1642) of all reports.
Not Classified
Aggregated GHS information provided per 1642 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Decanoic acid, ethyl ester
REACH registered substance: Ethyl decanoate (EC: 203-761-9)
Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29159080
- RTECS-Nr.
- HD9420000
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
- Selbstentzündungstemperatur
- 310°C
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Ethyl Caprate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationDecanoic acid, ethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in cognac, apple, banana, cherry, citrus, grape, melon, pear, pinapple, and more.
Verwendenmanufacture of wine bouquets, cognac essence.
Darstellung
synthetischeEthyl decanoate is prepared by esterification of decanoic acid and ethyl alcohol in the presence of HCl or H2SO4.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
15
Notizen zur Verbindung
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