4-(4-Methylphenyl)-4-oxobutanoic acid

Basic Information

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CAS Number

4619-20-9

Molecular Formula

C11H12O3

Molecular Weight

192.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

127.0 to 131.0 deg-C

Boiling Point

378.8℃ at 760 mmHg

Flash Point

197.0±19.7 °C

Refractive Index

1.5340 (estimate)

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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CC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

InChIKey

OEEUWZITKKSXAZ-UHFFFAOYSA-N

LogP

2.04252

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

215

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-Oxo-4-(para-tolyl)-butyric acid
BB 0218477
4-(4-Methylphenyl)-4-oxobutanoic acid
4-methyl-gamma-oxobenzenebutanoic acid
NSC-54788
NS00022206
EN300-17198
ZYB7JU7CMX
InChI=1/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14
4-Oxo-4-(p-tolyl)butyric Acid
AF-962/00506035
Z56899081
Propionic acid, 3-p-toluoyl-
4-(4-Methylphenyl)-4-oxobutanoic acid #
beta-(4-Methylbenzoyl)propionic acid
CS-0128424
4-(4-Methylphenyl)-4-oxobutyric acid, 98%
4-Oxo-4-(4-tolyl)butyricacid
4-METHYL-.GAMMA.-OXOBENZENEBUTANOIC ACID
NSC54788
Q4637072
4-(4-Methylphenyl)-4-oxobutyric acid
AC-16655
4619-20-9
3-(4-Methylbenzoyl)-propionic Acid
.BETA.-(4-METHYLBENZOYL)PROPIONIC ACID
DTXSID00288225
UNII-ZYB7JU7CMX
4-(p-Tolyl)-4-oxobutyric Acid
SMR000150690
4-Oxo-4-p-tolylbutyric acid

MDL Number

MFCD00020541

Customs Code

2918300090

FAQ

What is 4-(4-Methylphenyl)-4-oxobutanoic acid (CAS: 4619-20-9)?

4-(4-Methylphenyl)-4-oxobutanoic acid, also known as 4-methyl-2-oxophenylbutyric acid, is a chemical compound with the CAS number 4619-20-9. It is a white solid with a molecular formula of C9H11O3. This compound has a pungent odor and is used in pharmaceuticals and research.

What are the main uses of 4-(4-Methylphenyl)-4-oxobutanoic acid (CAS: 4619-20-9)?

4-(4-Methylphenyl)-4-oxobutanoic acid is primarily used in pharmaceuticals as a precursor for the synthesis of other compounds. It is also used in research for its biochemical properties and in the development of new drugs.

Is 4-(4-Methylphenyl)-4-oxobutanoic acid (CAS: 4619-20-9) safe?

4-(4-Methylphenyl)-4-oxobutanoic acid is generally safe when handled with appropriate precautions. It should be stored away from heat and open flames. Protective gloves and goggles are recommended during handling to prevent skin contact and eye exposure.

How should 4-(4-Methylphenyl)-4-oxobutanoic acid (CAS: 4619-20-9) be stored?

4-(4-Methylphenyl)-4-oxobutanoic acid should be stored in a cool, dry place away from heat and open flames. It should be kept in a tightly sealed container to prevent moisture absorption. This compound is stable at room temperature but should be protected from light.