Encyclopedia / Ester & Derivatives / Pharmaceutical Intermediates / Organic Intermediate

Diethyl succinate

CAS：123-25-1
MW:174.19
MF：C8H14O4

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. View more+

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Diethyl succinate

1.2 Synonyms: Butamedioic acid diethyl ester; Butanedioic acid diethyl ester; Butanedioic acid, diethyl ester; diethyl butane-1,4-dioate; Diethyl Butanedioate; EINECS 204-612-0; Ethyl Succinate; MFCD00009208; succinic acid diethyl ester;

1.3 CAS No.: 123-25-1

1.4 CID: 31249

1.5 EINECS: 204-612-0

1.6 Molecular Formula: C8H14O4

1.7 Inchi: InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

1.8 InChkey: DKMROQRQHGEIOW-UHFFFAOYSA-N

1.9 Canonical Smiles: CCOC(=O)CCC(=O)OCC

1.10 Isomers Smiles: CCOC(=O)CCC(=O)OCC

2. Properties

2.1 Vapour pressure: 6 (vs air)

2.2 Solubility: 2.00g/l

2.3 VaporDensity: 6 (vs air)

2.4 Appearance: Clear colorless to yellow Liquid

2.5 Storage: Ambient temperatures.

2.6 Chemical Properties: CLEAR LIQUID

2.7 Color/Form: Clear colorless to yellow

2.8 Water Solubility: Slightly soluble in water.

2.9 Stability: Stable under normal temperatures and pressures.

2.10 StorageTemp: Store in a cool, dry place. Keep container closed when not in use.

3. Use and Manufacturing

3.1 Description

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|colourless mobile liquid with faint pleasant odour

Diethyl succinate is a fatty acid ester.

3.2 Methods of Manufacturing: Derived from esterification of succinic acid and ethanol.

3.3 Purification Methods: Dry the succinate with MgSO4, and distil it at 15mm pressure. [Beilstein 2 IV 1914.] Diethyl succinate Preparation Products And Raw materials Raw materials

3.4 Usage: Alkyl succinates have been used as ashless dispersants anddetergent additives for lubricating oils.

4. Safety and Handling

4.1 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.

4.2 Report: Reported in EPA TSCA Inventory.

4.3 Safety: Safety Information about?Diethyl succinate (CAS NO.123-25-1):
Hazard Codes:?Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25-22?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 2
RTECS: WM7400000
HS Code: 29171990
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.

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4.4 Specification: General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. Combustible liquid.
Extinguishing Media: Use agent most appropriate to extinguish fire.?
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

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4.5 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	8530mg/kg (8530mg/kg)	?	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

Predict 1H proton NMR

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

123-25-1Total: 88 Synthesis Route

623-91-6 76 Suppliers

123-25-1 174 Suppliers

762-21-0 80 Suppliers

123-25-1 174 Suppliers

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8. Precursor and Product

precursor:

609-08-5

105-39-5

623-91-6

141-78-6

105-36-2

762-21-0

141-05-9

110-15-6

108-30-5

product:

637-88-7

109-99-9

75-08-1

110-63-4

541-19-5

584-27-0

123-56-8

787-07-5

1070-34-4

108-30-5

9. Computed Properties

Molecular Weight：174.19g/mol
Molecular Formula：C₈H₁₄O₄
Compound Is Canonicalized：True
XLogP3-AA：174.08920892
Monoisotopic Mass：174.08920892
Complexity：135
Rotatable Bond Count：7
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：52.6
Heavy Atom Count：：12
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABAAAAACAAAEAAAAAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Usage: It is employed as emollients, masking agents, plasticisers and solvents.

Storage Conditions: Derived from esterification of succinic acid and ethanol.

Fire Hazards: Combustible.

Spillage Disposal: 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.

Inhalation Risk: No 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.

Effects Of Short Term Exposure: The substance is mildly irritating to the eyes.

Fire Prevention: NO open flames.

Inhalation Prevention: Use ventilation.

Skin Prevention: Protective gloves.

Eye Pprevention: Wear safety spectacles.

First Aid

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.

Mesh Entry Terms: diethyl succinate

Symptoms: Redness.

Manufacturing Info: Butanedioic acid, 1,4-diethyl ester: ACTIVE|Butanedioic acid, di-C8-26-alkyl esters: ACTIVE

Use Classification: Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Emollient

11. Toltal 162 Suppliers View more

Wuhan Fortuna Chemical Co., Ltd.

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Tel: Update Time:2024/08/08

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Hebei Mojin Biotechnology Co.,Ltd

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Factory supply Diethyl succinate/Diethyl butanedioate cas 123-25-1

Hebei Crovell Biotech Co. Ltd

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Hebei Yanxi Chemical Co.,Ltd

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Tel: Update Time:2024/11/14

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Baoji Guokang Healthchem co.,ltd

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Tel: Update Time:2024/11/15

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12. Related Questions

: What Are the Characteristics and Applications of Diethyl Succinate?Background and Overview Diethyl succinate, also known as diethyl butanedioate, is a saturated compound with a chemical formula (CH2CO2CH2CH3)2. It is a colorless liquid at room temperature and pressur..; What are the synthesis routes of Diethyl succinate?Introduction Diethyl succinate is primarily used as a plasticizer and specialty lubricant, as well as a stationary liquid in gas chromatography. Additionally, it can be used as a solvent, food flavori..

13. Realated Product Infomation