Grundinformationen
- CAS
818-38-2- Standard-SMILES
CCOC(=O)CCCC(=O)OCC- InChIKey
OUWSNHWQZPEFEX-UHFFFAOYSA-N- Summenformel
- C9H16O4
- Durchschnittliche Molmasse
- 188,22 g/mol
- Monoisotopische Masse
- 188,10485899
Überblick
Diethyl glutarate is a diester obtained by the formal condensation of carboxy groups of glutaric acid with two molecules of ethanol respectively. It has a role as a metabolite. It is functionally related to a glutaric acid.
Namen und Bezeichner
- Bevorzugter Name
- Diethyl glutarate
- IUPAC
- diethyl pentanedioate
- Lokaler Name
- Diethylglutarat
- Englischer Name
- Diethyl glutarate
- Summenformel
- C9H16O4
- Molmasse
- 188.22
Namen und Synonyme
DIETHYL GLUTARATE818-38-2Diethyl pentanedioateEthyl glutarateGlutaric acid diethyl esterGlutaric acid, diethyl ester84O6XW9RFEDTXSID5061162NSC-8890CHEBI:87319glutarate diethyl esterRefChem:587227
Weitere Namen anzeigen
iethylglutarateDiethyl glutaratRARECHEM AL BI 0547DiethylGlutarate>Diethyl PentanediateDiethylglutarate,98%Glutaric acid diethyl
DTXCID8048236212-451-2Pentanedioic acid, diethyl esterNSC 8890MFCD00009212Pentanedioic acid, 1,5-diethyl esterQ27159522Glutaric acid, diethyl ester (6CI,7CI,8CI); Pentanedioic acid, diethyl ester (9CI); Diethyl glutarate; Diethyl pentanedioate; Ethyl glutarate
Datenbank-Bezeichner
- CAS
818-38-2- PubChem CID
- 13163
- DTXSID
DTXSID5061162- ChEBI
CHEBI:87319- UNII
- 84O6XW9RFE
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 147
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Physikochemische Eigenschaften
- Schmelzpunkt
- -24.1 °C · -24.1°C
- Siedepunkt
- 237 °C · 237 °C(lit.)
- Dichte
- 1.022 g/mL · 1.022 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.423(lit.)
- Flammpunkt
- 205 °F · 205 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- BRN
- 1777327 · 1777327
- Henry's Law Constant
- 1.7 · 1.7×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Dielectric constant
- 6.7 · 6.7(30℃)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Pentanedioic acid, diethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Diethyl glutarate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29171900
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPentanedioic acid, 1,5-diethyl ester: ACTIVE
Anwendungen
VerwendenDiethyl Glutarate has a role as a metabolite. It derives from a glutaric acid (G598000) an organic acid found in human urine which may be used for the detection of metabolic or other health disorders.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
3
Notizen zur Verbindung
Wird geladen…