Grundinformationen
- Standard-SMILES
CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC- InChIKey
YSAVZVORKRDODB-PHDIDXHHSA-N- Summenformel
- C8H14O6
- Durchschnittliche Molmasse
- 206,19 g/mol
- Monoisotopische Masse
- 206,07903817
Überblick
diethyl tartrate is a metabolite found in or produced by Saccharomyces cerevisiae.
Namen und Bezeichner
- Bevorzugter Name
- Diethyl tartrate
- IUPAC
- diethyl (2R,3R)-2,3-dihydroxybutanedioate
Namen und Synonyme
87-91-2Diethyl L-tartrateEthyl tartrateFEMA No. 2378DTXSID5052597Diethyl (+)-tartrateOQ72CPY58ZDiethyl 1,2-dihydroxy-1,2-ethanedicarboxylateTartaric acid, diethyl esterDTXCID6031170NSC-44808BUTANEDIOIC ACID, 2,3-DIHYDROXY-(R-(R*,R*))-, DIETHYL ESTER
Weitere Namen anzeigen
RefChem:133449Tartaric acid diethyl esterBUTANEDIOIC ACID, 2,3-DIHYDROXY-(2R,3R)-, DIETHYL ESTERBUTANEDIOIC ACID, 2,3-DIHYDROXY-(2R,3R)-, 1,4-DIETHYL ESTER201-783-3Diethyl 2,3-dihydroxysuccinateDiethyl tartrate(2R,3R)-Diethyl 2,3-dihydroxysuccinate
Datenbank-Bezeichner
- CAS
87-91-2- PubChem CID
- 6993580
- DTXSID
DTXSID5052597- UNII
- OQ72CPY58Z
- EC Number
- 201-783-3
- Nikkaji
- J9.319J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 93,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 180
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Diethyl tartrate) -> IFRA transparency List
LogP-0.29
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.203-1.210 (20 °C)
1.24 @25 °C
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble to insoluble in water; miscible in oil and alcohol
(in ethanol)
Boiling Point
280-281 °C; 153 °C (12 mm Hg)
280 °C @760 [mm Hg]
Refractive Index1.443-1.449
Physical Descriptioncolourless viscous liquid with very faint winey odour
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.8% (1418 of 1421) of all reports.
Not Classified
Aggregated GHS information provided per 1421 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, diethyl ester
Status: Active Update: 10-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18416
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes
General Manufacturing InformationButanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-diethyl ester: ACTIVE
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