Ethyl sorbate
Grundinformationen
- CAS
110318-09-7- Standard-SMILES
C/C=C/C=C/C(=O)OCC- InChIKey
OZZYKXXGCOLLLO-TWTPFVCWSA-N- Summenformel
- C8H12O2
- Durchschnittliche Molmasse
- 140,18 g/mol
- Monoisotopische Masse
- 140,08372962
Überblick
Ethyl sorbate is a fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol. It has a role as a metabolite. It is functionally related to a sorbic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl sorbate
- IUPAC
- ethyl (2E,4E)-hexa-2,4-dienoate
Namen und Synonyme
ETHYL SORBATE2396-84-1Ethyl 2,4-hexadienoateethyl (2E,4E)-hexa-2,4-dienoateSorbic acid, ethyl ester2,4-Hexadienoic acid, ethyl ester2,4-Hexadienoic acid, ethyl ester, (2E,4E)-FEMA No. 2459Ethyl (E,E)-2,4-hexadienoateHSR16USG4DNSC 8874Ethyl 2,4-hexadienoate, (E,E)-
Weitere Namen anzeigen
EINECS 219-258-2AI3-117322,4-Hexadienoic acid, ethyl ester, (E,E)-Ethyl trans,trans-2,4-hexadienoateNSC-8874ETHYL SORBATE [FHFI]CHEBI:72819OZZYKXXGCOLLLO-TWTPFVCWSA-
Datenbank-Bezeichner
- CAS
110318-09-7、2396-84-1、5941-48-0- PubChem CID
- 1550470
- DTXSID
DTXSID80883712- ChEMBL
CHEMBL398921- ChEBI
CHEBI:72819- UNII
- HSR16USG4D
- EC Number
- 219-258-2
- Nikkaji
- J114.256I、J342.433B、J432.515J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 145
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Ethyl sorbate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.936-0.939
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; miscible in oils
soluble (in ethanol)
Boiling Point195-196 °C
Refractive Index1.491-1.498
Physical DescriptionColourless liquid; warm, fruity aroma
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.6% (283 of 284) of all reports.
Not Classified
Aggregated GHS information provided per 284 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2,4-Hexadienoic acid, ethyl ester, (E,E)-
Chemical: 2,4-Hexadienoic acid, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2,4-Hexadienoic acid, ethyl ester, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
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 Information2,4-Hexadienoic acid, ethyl ester, (2E,4E)-: ACTIVE
Zugehörige Reaktionen
11
Notizen zur Verbindung
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