5-(4-Methylphenyl)-5-oxopentanoic acid

Basic Information

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CAS Number

833-85-2

Molecular Formula

C12H14O3

Molecular Weight

206.24 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

Boiling Point

399.5°C at 760 mmHg

Density

1.137

Flash Point

209.6°C

Refractive Index

1.536

SMILES

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

InChI

InChI=1S/C12H14O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)

InChIKey

MCWLCBLXRSXGTF-UHFFFAOYSA-N

LogP

2.43262

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

227

Synonyms & References

English

5-oxo-5-p-tolylpentanoic acid
MCWLCBLXRSXGTF-UHFFFAOYSA-N
4-p-Toluoylbutyric acid
5-(4-Methylphenyl)-5-oxopentanoic acid
4-p-toluoylbutyricacid
DTXSID90232257
EN300-138548
AKOS004908134
Benzenepentanoic acid, 4-methyl-delta-oxo-
4-methyl-delta-oxobenzenepentanoic acid
NS00038252
SCHEMBL2743310
doi:10.14272/MCWLCBLXRSXGTF-UHFFFAOYSA-N
Z361415418
5-(4-Methylphenyl)-5-oxovaleric acid
5-Oxo-5-p-tolyl-pentanoic acid
AB06076
Benzenepentanoic acid, 4-methyl-.delta.-oxo-
MFCD00458564
FS-4187
Butyric acid, 4-p-toluoyl-
5-(4-Methylphenyl)-5-oxopentanoic acid #
FT-0705961
5-Oxo-5-(p-tolyl)pentanoic acid
DA8HTW3SB7
4-(p-Toluoyl)butyric acid
833-85-2
EINECS 212-632-6
10.14272/MCWLCBLXRSXGTF-UHFFFAOYSA-N
Benzenepentanoic acid,4-methyl-d-oxo-

MDL Number

MFCD00458564

FAQ

What are the physical and chemical properties of 5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2)?

5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2) is a white crystalline solid with a molecular weight of approximately 190.24 g/mol. Its solubility is low in water but soluble in organic solvents like acetone and ethanol. It is moderately reactive and can undergo esterification and hydrogenation reactions.

How is 5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2) typically synthesized?

5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2) is typically synthesized via the condensation of 4-methylbenzaldehyde and pentanoic anhydride. The reaction is catalyzed by a strong acid such as sulfuric acid and proceeds with good yield and selectivity.

What industries use 5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2)?

5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2) is used in various industries, including pharmaceuticals for drug synthesis, polymers for monomer applications, and sensors for detection of specific chemicals. Its use in semiconductors is also explored for its potential in organic electronic devices.

What precautions should be taken when handling 5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2)?

When handling 5-(4-Methylphenyl)-5-oxopentanoic acid (CAS: 833-85-2), it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up with appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling guidelines.