1-Phenyl-1,3-butanedione

Basic Information

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CAS Number

93-91-4

Molecular Formula

C10H10O2

Molecular Weight

162.19 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

Physical State

Powder

Melting Point

57.0 to 60.0 deg-C

Boiling Point

262°C

Density

1.09 g/mL at 25 °C

Flash Point

260-262℃

Solubility

0.38g/l insoluble

Refractive Index

1.5678 (estimate)

SMILES

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CC(=O)CC(=O)c1ccccc1

InChI

InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

CVBUKMMMRLOKQR-UHFFFAOYSA-N

LogP

1.8484

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

178

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

Sensitive to humidity

Synonyms & References

English

1-Benzoylacetone
1-Phenyl-1,3-butanedione
Benzoylacetone, (1-Phenyl-1,3-butanedione)
Benzoylacetone
1-Benzoyl-2-propanone
1-phenyl-3-butanedione
1-phenyl-butane-1,3-dione
2-Propanone, benzoyl-
3-Butanedione,1-phenyl-1
-Acetylacetophenone
alpha-Acetylacetophenone
Benzoyl-aceton Benzoylpropanone
OMEGA-ACETYL ACETOPHENONE
A-ACETYLHYPNONE
A-ACETYLACETOPHENONE
A-ACETYLMETHYL PHENYL KETONE
ACETOACETOPHENONE
ACETYLBENZOYLMETHANE
METHYL PHENACYL KETONE
AURORA 9175
1-BENZOYLACETONE CRYSTALLINE
1,3-Butanedione, 1-phenyl-
1-Phenylbutane-1,3-dione
Benzoyl propanone
α-Acetyl acetophenone
1-Phenyl-1,3-butanedione (ACI)
1-Methyl-3-phenyl-1,3-propanedione
1-Phenylbutan-1,3-dione
2-Acetylacetophenone
4-Oxo-4-phenylbutan-2-one
4-Phenyl-2,4-butanedione

MDL Number

MFCD00008786

Customs Code

29143900

FAQ

What is 1-Phenyl-1,3-butanedione (CAS: 93-91-4)?

1-Phenyl-1,3-butanedione, also known as cinnamaldehyde, is a colorless to pale yellow liquid with a distinctive aromatic odor. It has the chemical formula C9H8O2 and is commonly used in the production of fragrances, flavorings, and as a chemical intermediate.

What are the main uses of 1-Phenyl-1,3-butanedione (CAS: 93-91-4)?

1-Phenyl-1,3-butanedione is widely used in the fragrance and flavor industry for its pleasant aroma. It is also employed in the synthesis of other compounds and as a flavoring agent in foods and beverages. Additionally, it has applications in the pharmaceutical and cosmetic industries.

Is 1-Phenyl-1,3-butanedione (CAS: 93-91-4) safe?

1-Phenyl-1,3-butanedione is generally considered safe for use in food and cosmetics when used in accordance with regulatory guidelines. However, it is important to handle it with care due to its potential skin and eye irritation. Exposure should be minimized, and appropriate personal protective equipment (PPE) should be worn. It is classified as a skin sensitizer and should be stored away from sources of ignition and heat.

How should 1-Phenyl-1,3-butanedione (CAS: 93-91-4) be stored?

1-Phenyl-1,3-butanedione should be stored in a cool, dry place, protected from light and heat. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage temperature should ideally be below 25°C, and the relative humidity should be kept low to ensure stability. It is important to avoid storing it near incompatible materials and to label the container clearly with its contents and hazard information.