Grundinformationen
- CAS
692-86-4- Standard-SMILES
C=CCCCCCCCCC(=O)OCC- InChIKey
FXNFFCMITPHEIT-UHFFFAOYSA-N- Summenformel
- C13H24O2
- Durchschnittliche Molmasse
- 212,33 g/mol
- Monoisotopische Masse
- 212,17763001
Überblick
Ethyl 10-undecenoate is a fatty acid ester.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 10-undecenoate
- IUPAC
- ethyl undec-10-enoate
- Lokaler Name
- Ethylundec-10-enoat
- Englischer Name
- Ethyl 10-undecenoate
- Summenformel
- C13H24O2
- Molmasse
- 212.33
Namen und Synonyme
ETHYL 10-UNDECENOATE692-86-4Ethyl undec-10-enoateEthyl undecylenate10-Undecenoic acid, ethyl esterEthyl undecenoateEthyl 10-hendecenoateEthyl 10-undecylenate10-Undecenoic Acid Ethyl EsterFEMA No. 2461MFCD00009220DTXSID4044828
Weitere Namen anzeigen
FEMA 2461ethylundecenoateETHYL UNDECELENATEEthyl HendecenoateETHYL UNDECYLENOATERARECHEM AL BI 0169Ethylundec-10-enoat
Undecenoic acid, ethyl ester7P1S77T8BFEthyl 10-Undecenoate; Ethyl UndecenoateEINECS 211-734-8BRN 1769949UNII-7P1S77T8BFAI3-00664Undecylenoate Acid
Datenbank-Bezeichner
- CAS
692-86-4- PubChem CID
- 12729
- DTXSID
DTXSID4044828- ChEMBL
CHEMBL3182950- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 164
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl 10-undecenoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.877-0.882
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
258.00 to 259.00 °C. @ 760.00 mm Hg
258-259 °C
Melting Point-38 °C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (236 of 236) of all reports.
Not Classified
Aggregated GHS information provided per 236 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 10-Undecenoic acid, ethyl ester
Status: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22310
10-Undecenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 10-Undecenoic acid, ethyl ester: Human health tier I assessment
Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A mild skin irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29161900
- RTECS-Nr.
- YQ2978400
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
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 Information10-Undecenoic acid, ethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in cognac
Verwenden10-Undecenoic Acid Ethyl Ester is used to make luminescent silicon quantum dots for imaging of cancer cells.
Darstellung
synthetischeBy heating the corresponding acid together with HCl in ethyl alcohol solution at 70°C or with H2SO4 in alcoholic solution.
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