1-(3,5-Dimethylphenyl)ethanone

Basic Information

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CAS Number

5379-16-8

Molecular Formula

C10H12O

Molecular Weight

148.2 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

Basic Physical Properties

Melting Point

20°C

Boiling Point

237°C

Flash Point

98-100°C/8mm

Refractive Index

1.5290

SMILES

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CC(=O)c1cc(C)cc(C)c1

InChI

InChI=1S/C10H12O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,1-3H3

InChIKey

BKIHFZLJJUNKMZ-UHFFFAOYSA-N

LogP

2.5060400000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

141

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

1-(3,5-Dimethylphenyl)ethanone
3',5'-Dimethylacetophenone
3,5-DIMETHYLACETOPHENONE
Ethanone, 1-(3,5-dimethylphenyl)-
3′,5′-Dimethylacetophenone
1-(3,5-dimethylphenyl)ethan-1-one
Ethanone, 1-(dimethylphenyl)-
1-(Dimethylphenyl)ethan-1-one
PubChem24402
KSC921I0R
3', 5'-dimethylacetophenone
3',5'-dimethyl acetophenone
1-acetyl-3,5-dimethylbenzene
BKIHFZLJJUNKMZ-UHFFFAOYSA-N

MDL Number

MFCD01075693

Customs Code

2914399090

FAQ

What regulatory guidelines apply to 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8)?

1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) falls under the scope of various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for the European Union, and FDA and EPA requirements in the United States. It is classified as a hazardous substance due to its flammability and potential for skin and eye irritation. Compliance with these guidelines is essential for safe handling and disposal.

Are there alternatives to 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) in synthesis?

While 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) is a useful intermediate in organic synthesis, alternatives such as 2-methyl-3-phenylpropan-1-one or other ketones with similar functional groups can serve as substitutes. The choice of alternative depends on the specific reaction conditions and desired product properties.

What is the market or research trend for 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8)?

The market for 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) is primarily driven by its use in the pharmaceutical and fine chemical industries. Research trends focus on its applications in drug synthesis and as a building block for complex molecules. Market demand is expected to grow due to increasing demand in pharmaceutical R&D and chemical manufacturing.

How should waste containing 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) be handled?

Waste containing 1-(3,5-Dimethylphenyl)ethanone (CAS: 5379-16-8) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but ensure compliance with local regulations. Environmental protection precautions include proper containment to prevent spills and ensure safe transportation to a certified disposal facility.