1,2-Bis(4-methylphenyl)-1,2-ethanedione

Basic Information

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CAS Number

3457-48-5

Molecular Formula

C16H14O2

Molecular Weight

238.29 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

103.0 to 106.0 deg-C

Boiling Point

211°C/7mmHg

Flash Point

168.6 °C

Refractive Index

1.6290 (estimate)

SMILES

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CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChIKey

BCWCEHMHCDCJAD-UHFFFAOYSA-N

LogP

3.369040000000002

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

273

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethanedione, bis(4-methylphenyl)-
4HZ2Y7K8GZ
NSC22505
BDBM22740
4,4 inverted exclamation mark -Dimethylbenzil
1,2-Di-p-tolyl-ethane-1,2-dione
D1875
EINECS 222-388-2
MFCD00008554
AE-562/06268025
1,2-ethanedione, 1,2-bis(4-methylphenyl)-
Di-p-tolylethanedione
FT-0617089
A874939
Benzil-based compound, 18
1,2-Bis(4-methylphenyl)-1,2-ethanedione #
1,2-dip-tolylethane-1,2-dione
DTXSID60188116
1,2-Bis(4-methylphenyl)-1,2-ethanedione
EN300-17206
3457-48-5
N11959
4,4//'-Dimethylbenzil
AKOS001043874
NSC 22505
p-Tolil
4,4'-Dimethylbenzil
4,4'-Dimethylbenzil, 97%
(E)-1,2-Bis(4-methylphenyl)ethane-1,2-dione
1,2-Di-p-tolylethane-1,2-dione
P,p'-dimethylbenzil

MDL Number

MFCD00008554

Customs Code

2914399090

FAQ

What are the physical and chemical properties of 1,2-Bis(4-methylphenyl)-1,2-ethanedione (CAS: 3457-48-5)?

1,2-Bis(4-methylphenyl)-1,2-ethanedione is a white crystalline solid with a molecular weight of approximately 276.34 g/mol. Its solubility in water is low, with a value of around 0.05 g/100 mL at 20°C. It is moderately stable under normal conditions but can react with strong reducing agents. This compound is commonly used in organic synthesis and as a precursor in various chemical processes.

How is 1,2-Bis(4-methylphenyl)-1,2-ethanedione (CAS: 3457-48-5) typically synthesized?

1,2-Bis(4-methylphenyl)-1,2-ethanedione is typically synthesized via the condensation of 4-methylbenzaldehyde with acetaldehyde. This can be achieved with the presence of an acid catalyst such as sulfuric acid. The yield is generally around 70-80%. The reaction is exothermic and requires careful temperature control to achieve the desired product.

What industries use 1,2-Bis(4-methylphenyl)-1,2-ethanedione (CAS: 3457-48-5)?

1,2-Bis(4-methylphenyl)-1,2-ethanedione is primarily used in the pharmaceutical and fine chemical industries. It serves as an intermediate in the synthesis of various drugs and organic compounds. Additionally, it has applications in the polymer industry for the production of certain polymers and in the electronics sector for use in semiconductor materials.

What precautions should be taken when handling 1,2-Bis(4-methylphenyl)-1,2-ethanedione (CAS: 3457-48-5)?

When handling 1,2-Bis(4-methylphenyl)-1,2-ethanedione, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be handled in a well-ventilated area or under a fume hood to avoid inhalation. Spills should be carefully cleaned up, and all waste should be disposed of according to local regulations. For safety information, consult the Material Safety Data Sheet (MSDS/SDS) for detailed instructions.