Methyl 2-acetylisonicotinate

Basic Information

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CAS Number

138715-82-9

Molecular Formula

C9H9NO3

Molecular Weight

179.17 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

296.6℃ at 760 mmHg

Flash Point

133.173℃

SMILES

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COC(=O)c1ccnc(c1)C(=O)C

InChI

InChI=1S/C9H9NO3/c1-6(11)8-5-7(3-4-10-8)9(12)13-2/h3-5H,1-2H3

InChIKey

VKPFTQQVEGRJCF-UHFFFAOYSA-N

LogP

1.0708

Topological Polar Surface Area

56.26 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

215

Synonyms & References

English

Methyl 2-acetylisonicotinate
2-Acétylisonicotinate de méthyle
2-Acetyl-isonicotinic acid methyl ester
4-pyridinecarboxylic acid, 2-acetyl-, methyl ester
Methyl-2-acetylisonicotinat
LogP
methyl 2-acetylpyridine-4-carboxylate
2-Acetylisonicotinic acid methyl ester
AK110528
PYAC31
methyl-2-acetylisonicotinate
2-acetylisonicotic methyl ester
VKPFTQQVEGRJCF-UHFFFAOYSA-N
FCH864373
6698AA
TRA0059936
OR350226
SY017474

MDL Number

MFCD09032412

FAQ

What regulatory guidelines apply to Methyl 2-acetylisonicotinate (CAS: 138715-82-9)?

Methyl 2-acetylisonicotinate (CAS: 138715-82-9) falls under the scope of several regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it should be classified based on its physical and chemical properties. In the European Union, it is regulated under REACH, where manufacturers and importers must register the substance and provide safety data sheets. For use in the United States, FDA and EPA regulations may apply, particularly if it is used in food additives or pesticides.

Are there alternatives to Methyl 2-acetylisonicotinate (CAS: 138715-82-9) in synthesis?

Several alternatives to Methyl 2-acetylisonicotinate (CAS: 138715-82-9) can be used in synthesis, including methyl isonicotinate and methyl nicotinate. These compounds can serve similar roles in various chemical reactions and are often chosen based on availability, cost, and specific reaction requirements. Isomers such as 2-acetylisonicotinamide can also be considered, although they may not have identical properties.

What is the market or research trend for Methyl 2-acetylisonicotinate (CAS: 138715-82-9)?

Methyl 2-acetylisonicotinate (CAS: 138715-82-9) is primarily used in the production of fragrance and flavor compounds. Market trends indicate a steady demand due to its application in the perfume industry. Recent research focuses on its potential use in pharmaceuticals and as a precursor in other chemical syntheses. Price trends suggest a relatively stable market, with minor fluctuations driven by supply and demand dynamics.

How should waste containing Methyl 2-acetylisonicotinate (CAS: 138715-82-9) be handled?

Waste containing Methyl 2-acetylisonicotinate (CAS: 138715-82-9) should be collected in a sealed container and disposed of according to local waste management regulations. Incineration is a common disposal method, but professional waste disposal services should be utilized to ensure compliance with environmental protection measures. Proper handling includes wearing appropriate personal protective equipment and following safety protocols to prevent exposure and environmental contamination.