Methyl 4-(2-methoxyphenyl)-3-oxobutanoate

Basic Information

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CAS Number

131644-96-7

Molecular Formula

C12H14O4

Molecular Weight

222.24 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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COC1=CC=CC=C1CC(=O)CC(=O)OC

InChI

InChI=1S/C12H14O4/c1-15-11-6-4-3-5-9(11)7-10(13)8-12(14)16-2/h3-6H,7-8H2,1-2H3

InChIKey

LOYYLMFDKIAXPD-UHFFFAOYSA-N

LogP

1.3699

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

249

Synonyms & References

English

4-(2-Methoxy-phenyl)-3-oxo-butyric acid methyl ester
4-(2-METHOXYPHENY)-3-OXO-BUTYRIC ACID METHYL ESTER
2-METHOXY-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER
2-methoxy-beta-oxo-benzenebutanoic acid methyl ester
4-(2-Methoxypheny)-3-oxo-butyric acid methyl ester
E76426
A-oxo-,methyl ester
4-(2-methoxy-phenyl)-3-oxo-butyric acid methyl ester
4-(2-methoxyphenyl)-3-oxo-butyric acid methyl ester
AM20210037
AKOS000803315
methyl 4-(2-methoxyphenyl)-3-oxobutanoate
BS-50631
methyl4-(2-methoxyphenyl)-3-oxobutanoate
CS-0198912
BRD-K98709673-001-01-8
131644-96-7
MFCD08457133
Benzenebutanoic acid,2-methoxy-

MDL Number

MFCD08457133

FAQ

What is Methyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 131644-96-7)?

Methyl 4-(2-methoxyphenyl)-3-oxobutanoate is a chemical compound with the CAS number 131644-96-7. It is an ester with a molecular formula C9H12O3 and is characterized by its distinctive aromatic and ketone functional groups.

What are the main uses of Methyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 131644-96-7)?

Methyl 4-(2-methoxyphenyl)-3-oxobutanoate is primarily used as a fragrance ingredient in the cosmetics and perfume industries. It also finds applications in the pharmaceutical sector as an intermediate in drug synthesis and in research for its various biological activities.

Is Methyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 131644-96-7) safe?

Methyl 4-(2-methoxyphenyl)-3-oxobutanoate is generally considered safe when used as directed. However, it is important to follow all safety guidelines and use appropriate personal protective equipment to prevent skin and eye contact. Inhalation and ingestion should be avoided.

How should Methyl 4-(2-methoxyphenyl)-3-oxobutanoate (CAS: 131644-96-7) be stored?

Methyl 4-(2-methoxyphenyl)-3-oxobutanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store it in a sealed container to prevent degradation and ensure its stability. The storage temperature should ideally be maintained between 15°C to 25°C (59°F to 77°F).