Dimethyl propargylmalonate

Basic Information

View in Editor

CAS Number

95124-07-5

Molecular Formula

C8H10O4

Molecular Weight

170.16 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

Basic Physical Properties

Boiling Point

93-95 °C/7 mmHg

Density

1.119 g/mL at 20 °C

Refractive Index

n20/D 1.444

SMILES

View in Editor

COC(=O)C(CC#C)C(=O)OC

InChI

InChI=1S/C8H10O4/c1-4-5-6(7(9)11-2)8(10)12-3/h1,6H,5H2,2-3H3

InChIKey

PWQAXFWWMXTVFT-UHFFFAOYSA-N

Complexity

207

Synonyms & References

English

Propanedioic acid,2-(2-propyn-1-yl)-, 1,3-dimethyl ester
dimethyl 2-(prop-2-ynyl)malonate
dimethyl 2-prop-2-ynylpropanedioate
Dimethyl propargylmalonate
1,3-Dimethyl 2-(2-propyn-1-yl)propanedioate (ACI)
Propanedioic acid, 2-propynyl-, dimethyl ester (9CI)
Dimethyl 2-(2-propyn-1-yl)malonate
Dimethyl 2-(2-propynyl)malonate
Dimethyl 2-propargylmalonate
Dimethyl 2-propynylpropanedioate
Dimethyl propargymalonate
CS-0187377
95124-07-5
DTXSID30404971
SB40191
AKOS037649422
DB-342606
DIMETHYL2-(PROP-2-YN-1-YL)MALONATE
Propanedioic acid, 2-(2-propyn-1-yl)-, 1,3-dimethyl ester
EN300-4290251
Dimethyl 2-prop-2-ynylpropanedioate
Dimethyl propargylmalonate, >=95.0% (GC)
SY122075
Dimethylpropargylmalonate
1,3-dimethyl 2-(prop-2-yn-1-yl)propanedioate
PWQAXFWWMXTVFT-UHFFFAOYSA-N
SCHEMBL3476921
Dimethyl 2-(Prop-2-yn-1-yl)malonate
BS-18274
VDA12407
MFCD00077856

MDL Number

MFCD00077856

FAQ

What regulatory guidelines apply to Dimethyl propargylmalonate (CAS: 95124-07-5)?

Dimethyl propargylmalonate (CAS: 95124-07-5) is classified as a hazardous chemical according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is subject to regulations under REACH in the EU, which requires registration and notification of substances above a certain threshold. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) regulate its use in various applications, ensuring compliance with safety and environmental standards.

Are there alternatives to Dimethyl propargylmalonate (CAS: 95124-07-5) in synthesis?

Yes, various alternatives to Dimethyl propargylmalonate (CAS: 95124-07-5) are available for synthesis. Common alternatives include other malonates and their analogs, such as methyl malonate and ethyl malonate. Additionally, isomers and related compounds like 1,3-dimethyl-1,3-propanediamine can serve as viable substitutes, depending on the specific requirements of the synthetic route.

What is the market or research trend for Dimethyl propargylmalonate (CAS: 95124-07-5)?

The market for Dimethyl propargylmalonate (CAS: 95124-07-5) is growing due to its applications in the synthesis of valuable pharmaceuticals and agrochemicals. Research trends are focusing on its use in developing new drugs and biocatalytic routes for its production. The trend also includes exploring its environmental impact and sustainable production methods to meet increasing regulatory demands.

How should waste containing Dimethyl propargylmalonate (CAS: 95124-07-5) be handled?

Waste containing Dimethyl propargylmalonate (CAS: 95124-07-5) should be collected in appropriate containers and stored in a well-ventilated area away from heat sources. The waste should be neutralized if necessary to reduce its hazardous nature. Incineration or professional waste disposal services are recommended for handling the waste. Environmental protection precautions include ensuring proper leakage prevention and avoiding exposure to water sources to prevent environmental contamination.