Diethyl Citrate
Grundinformationen
- CAS
19958-02-2- Standard-SMILES
CCOC(=O)CC(O)(CC(=O)O)C(=O)OCC- InChIKey
KGYXYKHTHJPEBX-UHFFFAOYSA-N- Summenformel
- C10H16O7
- Durchschnittliche Molmasse
- 248,23 g/mol
- Monoisotopische Masse
- 248,08960285
Überblick
an anticoagulant with hypocalcemic activity; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Diethyl Citrate
- IUPAC
- 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
- Englischer Name
- DIETHYL CITRATE
- Summenformel
- C10H16O7
- Molmasse
- 248.23
Namen und Synonyme
Diethyl citrate32074-56-93N6TP86M5J1,2,3-Propanetricarboxylic acid, 2-hydroxy-, diethyl esterRefChem:587204250-914-0639-031-519958-02-2Citric Acid 1,2-Diethyl Ester1,2-Diethyl citrateAsym-Diethyl CitrateUNII-3N6TP86M5J
Weitere Namen anzeigen
Sym-Diethyl citrateCitric Acid Impurity 20Citric acid hydrogen 1,5-diethyl ester3-Hydroxy-3,4-bis(ethoxycarbonyl)butanoicaci3-Hydroxy-3,4-bis(ethoxycarbonyl)butanoic Acid1,2-Diethyl 2-hydroxy-1,2,3-propanetricarboxylate
Citric acid, 1,2-diethyl esterDiethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate1,2-Diethyl citrate, (+/-)-EINECS 250-914-05-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid5-ethoxy-3-(ethoxycarbonyl)-3-hydroxy-5-oxopentanoic acid803HW347BD1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-diethyl ester
Datenbank-Bezeichner
- CAS
19958-02-2、32074-56-9- PubChem CID
- 15384083
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 299
Experimentelle und physikochemische Eigenschaften
Flavoring AgentsEU Flavoring substances
Physikochemische Eigenschaften
- Siedepunkt
- 421.4 · 421.4±45.0 °C(Predicted)
- Dichte
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.86 · 3.86±0.21(Predicted)
- Farbe
- Clear Colourless Oil to Off-White
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (36 of 36) of all reports.
Not Classified
Aggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Anwendungen
VerwendenCitric Acid 1,2-Diethyl Ester is an ethyl citrate found in lemon juice.
Anbieter3 Anbieter
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
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