Diethyl 2-(but-3-yn-1-yl)malonate

Basic Information

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CAS Number

117500-15-9

Molecular Formula

C11H16O4

Molecular Weight

212.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

128-130 ºC (11 Torr)

Flash Point

128.0±23.0 ºC,

Refractive Index

1.4428 (589.3 nm 15 ºC)

SMILES

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CCOC(=O)C(CCC#C)C(=O)OCC

InChI

InChI=1S/C11H16O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h1,9H,5-8H2,2-3H3

InChIKey

BOMLONUVVPSLQQ-UHFFFAOYSA-N

Complexity

243

Synonyms & References

English

Diethyl 2-(but-3-yn-1-yl)malonate
3-Butynylmalonic acid diethyl ester
Diethyl 2-(but-3-ynyl)Malonate
diethyl 2-but-3-ynylpropanedioate
3-Butynylpropanedioic acid diethyl ester
1,3-DIETHYL 2-(BUT-3-YN-1-YL)PROPANEDIOATE
s11833
A893345
Diethyl (but-3-yn-1-yl)propanedioate
MFCD21930660
1,3-diethyl 2-(but-3-yn-1-yl)propanedioate
Propanedioic acid, 2-(3-butyn-1-yl)-, 1,3-diethyl ester
117500-15-9
Diethyl2-(but-3-yn-1-yl)malonate
AKOS016012285
DTXSID40577680
AS-80001

MDL Number

MFCD21930660

FAQ

What is Diethyl 2-(but-3-yn-1-yl)malonate (CAS: 117500-15-9)?

Diethyl 2-(but-3-yn-1-yl)malonate is a chemical compound with the CAS number 117500-15-9. It is a colorless oily liquid with the molecular formula C8H12O4. This compound is characterized by its aliphatic and aromatic chemical properties, making it useful in various applications.

What are the main uses of Diethyl 2-(but-3-yn-1-yl)malonate (CAS: 117500-15-9)?

Diethyl 2-(but-3-yn-1-yl)malonate is primarily used in the pharmaceutical industry as a precursor in the synthesis of other compounds. It is also utilized in the chemical industry for the production of polymers and in the food industry as a flavoring agent. Additionally, it is used in research for its structural and functional properties.

Is Diethyl 2-(but-3-yn-1-yl)malonate (CAS: 117500-15-9) safe?

Diethyl 2-(but-3-yn-1-yl)malonate is generally considered safe for its intended uses, but care should be taken due to its volatility and potential for skin irritation. Proper protective measures, such as gloves and goggles, must be used during handling.

How should Diethyl 2-(but-3-yn-1-yl)malonate (CAS: 117500-15-9) be stored?

Diethyl 2-(but-3-yn-1-yl)malonate should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a sealed container to prevent exposure to air and moisture. The storage temperature should not exceed 25°C, and the container should be tightly closed to maintain its integrity.