Diethyl 2-(2-oxopropyl)succinate

Basic Information

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CAS Number

1187-74-2

Molecular Formula

C11H18O5

Molecular Weight

230.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

312.7°C at 760 mmHg

Flash Point

110 °C

Refractive Index

1.44

SMILES

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CCOC(=O)CC(CC(=O)C)C(=O)OCC

InChI

InChI=1S/C11H18O5/c1-4-15-10(13)7-9(6-8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3

InChIKey

AAPVOVKOHNCXJA-UHFFFAOYSA-N

LogP

1.0979999999999999

Topological Polar Surface Area

69.67000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

259

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Acetonyl-succinic Acid Diethyl Ester
(2-Oxopropyl)butanedioic acid diethyl ester; Diethyl acetonylsuccinate
AAPVOVKOHNCXJA-UHFFFAOYSA-N
diethyl 2-(2-oxidanylidenepropyl)butanedioate
?Acetonylsuccinic acid diethyl ester
DTXSID40420187
CHEMBL3182026
SR-05000001225
2-(2-oxo-propyl)-succinic acid diethyl ester
FT-0656401
2-(2-oxopropyl)butanedioic acid diethyl ester
SCHEMBL3426953
A804091
SR-05000001225-1
AKOS015915409
CS-0020013
Acetonylsuccinic acid diethyl ester
diethyl 2-(2-oxopropyl)butanedioate
A10597
CMLD2_000145
NCGC00161060-01
Butanedioic acid, (2-oxopropyl)-, diethyl ester
Diethyl acetonylsuccinate
MFCD00071579
Diethyl 2-(2-oxopropyl)succinate
1187-74-2
CCG-102236
NCGC00017825-02
Acetonyl succinic acid diethyl ester
CMLDBU00002588
J-519532

MDL Number

MFCD00071579

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Diethyl 2-(2-oxopropyl)succinate (CAS: 1187-74-2)?

Diethyl 2-(2-oxopropyl)succinate (CAS: 1187-74-2) is a colorless or slightly yellow crystalline compound with a molecular weight of approximately 238.32 g/mol. It is sparingly soluble in water and soluble in common organic solvents like ethanol and acetone. It exhibits moderate reactivity, particularly in ester exchange reactions and esterification processes.

How is Diethyl 2-(2-2-oxopropyl)succinate (CAS: 1187-74-2) typically synthesized?

Diethyl 2-(2-oxopropyl)succinate (CAS: 1187-74-2) can be synthesized via esterification of 2-(2-oxopropyl)succinic acid with diethyl acetate. The reaction is typically catalyzed by strong acids such as concentrated sulfuric acid. The yield is generally high, and the product can be isolated by conventional techniques including recrystallization.

What industries use Diethyl 2-(2-oxopropyl)succinate (CAS: 1187-74-2)?

Diethyl 2-(2-oxopropyl)succinate (CAS: 1187-74-2) is used in various industries. It serves as a key intermediate in the production of pharmaceuticals, where it is utilized in the synthesis of active pharmaceutical ingredients. It also finds applications in polymer production, particularly in the synthesis of thermosetting resins, and in sensor technology and semiconductor manufacturing as a precursor for certain functional groups.

What precautions should be taken when handling Diethyl 2-(2-oxopropyl)succinate (CAS: 1187-74-2)?

When handling Diethyl 2-(2-oxopropyl)succinate (CAS: 1187-74-2), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The substance should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be carefully cleaned up, and the area should be thoroughly washed. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.