ChemicalBook--->CAS DataBase List--->123-25-1

123-25-1

123-25-1 Structure

123-25-1 Structure
IdentificationMore
[Name]

Diethyl succinate
[CAS]

123-25-1
[Synonyms]

AKOS BBS-00004411
BUTANEDIOIC ACID DIETHYL ESTER
DES
diethyl butanedioate
DIETHYL SUCCINATE
ETHYL SUCCINATE
FEMA 2377
SUCCINIC ACID DIETHYL ESTER
Clorius
Diethyl ester of butanedioic acid
Diethylester kyseliny jantarove
diethylesterkyselinyjantarove
DIETHYL SUCCINATE 99+% FCC
diethylsuccinate,diethylesterbutadienoicacid,diethylsuccinate,diethylbutanedioate
Diethylsuccinat
DIETHYL SUCCINATE, NATURAL
Butanedioic acid, diethyl ester: (Succinic acid, diethyl ester)
Succinic acid diethyl
[EINECS(EC#)]

204-612-0
[Molecular Formula]

C8H14O4
[MDL Number]

MFCD00009208
[Molecular Weight]

174.19
[MOL File]

123-25-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR LIQUID
[Melting point ]

-20 °C (lit.)
[Boiling point ]

218 °C (lit.)
[density ]

1.047 g/mL at 25 °C(lit.)
[vapor density ]

6 (vs air)
[vapor pressure ]

1.33 hPa (55 °C)
[FEMA ]

2377
[refractive index ]

n20/D 1.42(lit.)
[Fp ]

195 °F
[storage temp. ]

Store below +30°C.
[solubility ]

2.00g/l
[form ]

Liquid
[color ]

Clear colorless to yellow
[Odor]

at 100.00 %. mild fruity cooked apple ylang
[biological source]

synthetic
[Odor Type]

fruity
[Water Solubility ]

Slightly soluble in water.
[JECFA Number]

617
[Merck ]

14,8869
[BRN ]

907645
[Henry's Law Constant]

1.9×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Dielectric constant]

6.6(30℃)
[Cosmetics Ingredients Functions]

FRAGRANCE
SOLVENT
SKIN CONDITIONING - EMOLLIENT
PLASTICISER
[Cosmetic Ingredient Review (CIR)]

Diethyl succinate (123-25-1)
[InChI]

1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
[InChIKey]

DKMROQRQHGEIOW-UHFFFAOYSA-N
[SMILES]

CCOC(=O)CCC(=O)OCC
[LogP]

1.4 at 40℃
[CAS DataBase Reference]

123-25-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Diethyl succinate(123-25-1)
[EPA Substance Registry System]

123-25-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210e-P280a-P370+P378a-P403+P235-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
[WGK Germany ]

2
[RTECS ]

WM7400000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29171990
[Storage Class]

10 - Combustible liquids
[Safety Profile]

Mildly toxic by ingestion. A skin and eye irritant. Combustible liquid. Reaction with ethyl trifluoroacetate + sodium hydride may cause a fire or explosion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
[Toxicity]

LD50 orally in Rabbit: 8530 mg/kg LD50 dermal Rat > 5000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ethylene glycol-->Succinic acid
[Preparation Products]

7-Methoxycoumarin-->Pigment Red 122-->2,5-Dihydroxyterephthalic acid-->Imazapyr acid-->Sertraline hydrochloride-->1,4-Cyclohexanedione-->Diethyl succinosuccinate-->Butanedihydrazide-->Monoethyl fumarate-->Ethyl Succinyl Chloride-->Diethyl malate-->ethyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate-->Triethyloxalsuccinate-->Ethyl -Ethoxycarbonyl--oxo-3-pyridinebutyrate-->O,O-SUCCINYLDICHOLINE IODIDE-->bis[2-(dimethylamino)ethyl] succinate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Diethyl succinate(123-25-1).msds
Questions And AnswerBack Directory
[Description]

Diethyl succinate is obtained by the direct esterification of a carboxylic acid and an alcohol in the presence of concentrated H2SO4 in benzene solution. It has a faint, pleasant odor. It occurs naturally in apple, raspberry, cognac, rum, whiskey, cider, sherry, plum brandy, apple brandy, grape brandy, cherry brandy, cocoa, arrack and red, white, port, strawberry and sparking wines.
It is used as a flavor agent in foods including nonalcoholic/alcoholic beverages, baked goods, frozen dairy, hard/soft candy, gelatins, and puddings.
[References]

[1] George A. Burdock (2016) Fenaroli’s Hanbook of Flavor Ingredients, Sixth Edition
[2] https://en.wikipedia.org/wiki/Diethyl_succinate
Hazard InformationBack Directory
[Chemical Properties]

CLEAR LIQUID
[Chemical Properties]

Diethyl succinate has a faint, pleasant odor.
[Occurrence]

Reported 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.
[Uses]

Alkyl succinates have been used as ashless dispersants and detergent additives for lubricating oils.
[Definition]

ChEBI: Diethyl succinate is a fatty acid ester.
[Preparation]

By direct esterification of the acid in the presence of concentrated H2SO4 in benzene solution; from succinic anhydride and ethyl alcohol
[Aroma threshold values]

Aroma characteristics at 1.0%: fruity, waxy, floral and slightly musty.
[Taste threshold values]

Taste charReported 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. acteristics at 10 to 100 ppm: chemical earthy, fruity with a pulpy mouthfeel
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 56, p. 6720, 1991 DOI: 10.1021/jo00023a047
Tetrahedron Letters, 28, p. 2393, 1987 DOI: 10.1016/S0040-4039(00)96133-1
[General Description]

Diethyl succinate(DES) is a diethyl ester with succinate molecules. It has two ester groups and is majorly used in fragrances. It produced by the esterification of succinic acid with ethanol.
[Flammability and Explosibility]

Nonflammable
[Biochem/physiol Actions]

Taste at 10-100 ppm
[Purification Methods]

Dry the succinate with MgSO4, and distil it at 15mm pressure. [Beilstein 2 IV 1914.]
Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl succinate(123-25-1)MS
Diethyl succinate(123-25-1)1HNMR
Diethyl succinate(123-25-1)13CNMR
Diethyl succinate(123-25-1)IR1
Diethyl succinate(123-25-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl succinate, 99%(123-25-1)
[Alfa Aesar]

Diethyl succinate, 98%(123-25-1)
[Sigma Aldrich]

123-25-1(sigmaaldrich)
[TCI AMERICA]

Diethyl Succinate,>99.0%(GC)(123-25-1)
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