Dimethyl cyclopentylmalonate

Basic Information

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CAS Number

82491-60-9

Molecular Formula

C10H16O4

Molecular Weight

200.23 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

240.9°C at 760 mmHg

Density

1,09 g/cm3

Flash Point

109.9°C

Refractive Index

1.4480-1.4510

SMILES

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COC(=O)C(C1CCCC1)C(=O)OC

InChI

InChI=1S/C10H16O4/c1-13-9(11)8(10(12)14-2)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3

InChIKey

KCCNEJJMJHDVCN-UHFFFAOYSA-N

LogP

1.1387999999999996

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

202

Synonyms & References

English

1,3-dimethyl 2-cyclopentylpropanedioate
Dimethyl Cyclopentylmalonate
Dimethyl 2-cyclopentylmalonate
82491-60-9
Propanedioic acid, cyclopentyl-, dimethyl ester
Dimethyl cyclopentylpropanedioate
AKOS016347296
2-Cyclopentyl-malonic aciddimethyl ester
C1621
CS-0187374
FT-0693238
AS-30536
dimethyl 2-cyclopentylpropanedioate
MFCD03844781
EN300-126930
Cyclopentylmalonic Acid Dimethyl Ester
DTXSID20564472
SCHEMBL4491334
Dimethyl cyclopentylmalonate
Cyclopentylmalonic acid dimethyl ester

MDL Number

MFCD03844781

Customs Code

2917209090

FAQ

What regulatory guidelines apply to Dimethyl cyclopentylmalonate (CAS: 82491-60-9)?

Dimethyl cyclopentylmalonate (CAS: 82491-60-9) falls under the scope of GHS classification, which categorizes it as a flammable liquid. It is also subject to REACH regulations in the European Union, requiring suppliers to register and provide detailed safety data sheets. In the USA, FDA and EPA may have additional requirements for its handling and use in pharmaceutical and industrial applications.

Are there alternatives to Dimethyl cyclopentylmalonate (CAS: 82491-60-9) in synthesis?

Dimethyl cyclopentylmalonate (CAS: 82491-60-9) can be synthesized using various alternatives such as other malonates or esters. For example, ethyl cyclopentylmalonate can be used as a substitute, offering similar properties. Additionally, isomers like 4-methyl-2-pentanone can serve as alternative reagents in certain synthetic routes.

What is the market or research trend for Dimethyl cyclopentylmalonate (CAS: 82491-60-9)?

The market for Dimethyl cyclopentylmalonate (CAS: 82491-60-9) is driven by its use in fragrances and flavorings. Research trends are focusing on its potential in pharmaceutical applications and as a precursor in organic synthesis. Recent studies are exploring its use in green chemistry and sustainable manufacturing processes, which may influence future market dynamics.

How should waste containing Dimethyl cyclopentylmalonate (CAS: 82491-60-9) be handled?

Waste containing Dimethyl cyclopentylmalonate (CAS: 82491-60-9) should be collected in appropriate containers and stored separately to prevent contamination. For disposal, incineration is a common method, but professional waste disposal services should be utilized to ensure compliance with local regulations. Environmental protection precautions include proper labeling, handling, and storage to minimize environmental impact.