Diethyl Succinate

HCID 31249CAS 123-25-1
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Grundinformationen

Standard-SMILES
CCOC(=O)CCC(=O)OCC
InChIKey
DKMROQRQHGEIOW-UHFFFAOYSA-N
Summenformel
C8H14O4
Durchschnittliche Molmasse
174,19 g/mol
Monoisotopische Masse
174,08920893

Überblick

Diethyl succinate is a fatty acid ester.

Namen und Bezeichner

Bevorzugter Name
Diethyl Succinate
IUPAC
diethyl butanedioate
Lokaler Name
Diethylsuccinat
Englischer Name
Diethyl succinate
Summenformel
C8H14O4
Molmasse
174.19

Namen und Synonyme

DIETHYL SUCCINATE123-25-1Diethyl butanedioateEthyl succinateButanedioic acid, diethyl esterSuccinic acid diethyl ester1,4-diethyl butanedioateSuccinic acid, diethyl esterButanedioic acid, 1,4-diethyl esterDiethylester kyseliny jantaroveFEMA No. 2377DTXSID2038732
Weitere Namen anzeigen
CloriusBUTANEDIOIC ACID DIETHYL ESTERFEMA 2377Diethyl ester of butanedioic acid45993Diethyl succite
ELP55C13DRNSC-8875DTXCID0018732RefChem:571068204-612-07071-15-0DIETHYLSUCCINATEDiethyl ethanedicarboxylate

Datenbank-Bezeichner

CAS
123-25-1
PubChem CID
31249
DTXSID
DTXSID2038732
ChEMBL
CHEMBL369243
ChEBI
CHEBI:169507
UNII
ELP55C13DR
EC Number
204-612-0
Nikkaji
J21.267I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
52,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
7
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds
Cosmetics · 2 Einträge

Cosmetic ingredients (Diethyl Succinate) -> CIR (Cosmetic Ingredient Review)

Emollient

SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Diethyl succinate) -> IFRA transparency List
LogP · 2 Einträge

1.20

1.19

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Physikochemische Eigenschaften

Schmelzpunkt
-20 °C · -20 °C (lit.)
Siedepunkt
218 °C · 218 °C (lit.)
Dichte
1.047 g/mL · 1.047 g/mL at 25 °C (lit.)
Dampfdichte
6 · 6 (vs air)
Dampfdruck
1.33 hPa · 1.33 hPa (55 °C)
FEMA
2377 · 2377 | DIETHYL SUCCINATE

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 99.5% (405 of 407) of all reports.

Not Classified

Aggregated GHS information provided per 407 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Butanedioic acid, diethyl ester

Regulation (EC) No 1831/2003 (amended)

Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27981

Diethyl succinate: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible.
Hazards SummaryA mild skin and eye irritant; [RTECS] Carboxylesterase substrate. [ChemIDplus] A mild eye irritant; [ICSC] Safe when used as a flavoring agent in food; [JECFA] A mild irritant; [Sigma-Aldrich MSDS]
EPA Safer ChemicalChemical: Diethyl succinate
Chemical DangersOn combustion, forms toxic gases.
Hazard Classes and CategoriesNot Classified

Sicherheit und Schutzausrüstung

Fire FightingUse dry powder, foam, carbon dioxide.
First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

Spillage Disposal · 1 Eintrag

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Cover the spilled material with inert absorbent.

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

Toxikologische Informationen

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Signs and SymptomsRedness.

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29171990
RTECS-Nr.
WM7400000
risk_code
36/37/38
Toxizität
LD50 orally in Rabbit: 8530 mg/kg LD50 dermal Rat > 5000 mg/kg

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Uses · 2 Einträge

CIR ingredient: Diethyl Succinate

Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as flavoring agent or adjuvant; [FDA]

Use Classification · 6 Einträge

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationButanedioic acid, 1,4-diethyl ester: ACTIVE
Anwendungen · 3 Einträge

OccurrenceReported found in apple, raspberry, cognac, rum, whiskey, cider, sherry, plum brandy, apple brandy, grape brandy, cherry brandy, cocoa, arrack and red, white, port, strawberry and sparkling wines.

VerwendenDiethyl succinate can be used as solvent; food flavoring agent; organic synthesis intermediate; gas chromatography stationary solution (maximum use temperature 60°C, solvent is ether). Alkyl succinates have been used as ashless dispersants and detergent additives for lubricating oils.

VerwendenDiethyl Succinate is a diester molecule present naturally in plant and animal tissues. Used commonly in fragrances and food flavourings.

Darstellung

synthetischeDiethyl succinate is synthesized by esterification of succinic acid and ethanol; by direct esterification of the acid in the presence of concentrated H2SO4 in benzene solution.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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