Diethyl isopropylmalonate

Basic Information

View in Editor

CAS Number

759-36-4

Molecular Formula

C10H18O4

Molecular Weight

202.25 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 Physical Properties

Boiling Point

214°C

Density

0.981 g/mL at 25 °C

Refractive Index

n20/D 1.42(lit.)

SMILES

View in Editor

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

InChI

InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3

InChIKey

BYQFBFWERHXONI-UHFFFAOYSA-N

LogP

1.3848

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

180

Safety Information

View Safety Information

GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Isopropylmalonic acid diethyl ester
MFCD00040491
SY023595
diethyl 2-propan-2-ylpropanedioate
Malonic acid, isopropyl-, diethyl ester
Z756390286
2-isopropyl-malonic acid diethyl ester
F1905-7204
isopropyl-malonic acid diethyl ester
Propanedioic acid, (1-methylethyl)-, diethyl ester
W-104382
AKOS002710270
doi:10.14272/BYQFBFWERHXONI-UHFFFAOYSA-N.2
NSC-1007
DIETHYL ISOPROPYLMALONATE
Diethyl 2-isopropylmalonate
Ethyl isopropylmalonate
Diethyl isopropylmalonate, >=98%
InChI=1/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H
EINECS 212-068-0
Propanedioic acid,2-ethyl-2-methyl-,1,3-diethyl ester
diethyl isopropyl-malonate
DTXSID60226820
EN300-52604
AMY10012
2-propan-2-ylpropanedioic acid diethyl ester
I0252
A838554
Q63392239
AI3-05608
SCHEMBL335361

MDL Number

MFCD00040491

FAQ

What regulatory guidelines apply to Diethyl isopropylmalonate (CAS: 759-36-4)?

Diethyl isopropylmalonate (CAS: 759-36-4) falls under the scope of the GHS (Globally Harmonized System of Classification and Labeling of Chemicals) and REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) regulations in the European Union. It may also be subject to FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) regulations in the United States. Specific safety data sheets and MSDS should be consulted for detailed handling and storage instructions.

Are there alternatives to Diethyl isopropylmalonate (CAS: 759-36-4) in synthesis?

Several alternatives to Diethyl isopropylmalonate (CAS: 759-36-4) can be used in synthesis, including other malonates such as ethyl malonate and isopropyl malonate. Other possible alternatives include dicarboxylic acids and their derivatives, which might offer similar functionalities and reactivity in different synthetic contexts.

What is the market or research trend for Diethyl isopropylmalonate (CAS: 759-36-4)?

The market for Diethyl isopropylmalonate (CAS: 759-36-4) shows a steady demand, particularly in the pharmaceutical and fine chemical industries. Recent research trends focus on using this compound for medicinal chemistry applications, as well as in the development of new materials and polymers. Price trends are influenced by supply and demand, with a growing interest in its use in green chemistry processes.

How should waste containing Diethyl isopropylmalonate (CAS: 759-36-4) be handled?

Waste containing Diethyl isopropylmalonate (CAS: 759-36-4) should be collected in appropriate containers and stored in a well-ventilated area. Incineration is a common method for disposal, but professional waste disposal services should be utilized to ensure compliance with environmental regulations. Proper labeling and documentation of waste management practices are essential to maintain safety and regulatory adherence.