1-Phenyl-1,3-decanedione

Basic Information

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CAS Number

68892-13-7

Molecular Formula

C16H22O2

Molecular Weight

246.35 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

357.2 °C at 760 mmHg

Density

0.984

Flash Point

134 °C

SMILES

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CCCCCCCC(=O)CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O2/c1-2-3-4-5-9-12-15(17)13-16(18)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3

InChIKey

IFQULAPKPYIHBS-UHFFFAOYSA-N

LogP

4.189000000000004

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

252

Synonyms & References

English

NS00020022
A836282
1,3-Decanedione, 1-phenyl-
BETA-PHENYL CINNAMALDEHYDE
IFQULAPKPYIHBS-UHFFFAOYSA-N
1-Phenyldecane-1,3-dione
1-Phenyl-3-heptyl-1,3-propanedione
EINECS 272-599-9
1(phenyl)-1,3decanedione
68892-13-7
DTXSID7071810
SCHEMBL98359
1,3-Decanedione,1-phenyl-
1-Phenyldecane-1,3-dione1-n-heptyl-3-Phenyl-1,3-propanedione
Octanoyl-benzoyl methane
Rhodiastab 92
1-Phenyl-1,3-decanedione
Benzoyl(octanoyl)methane

MDL Number

MFCD09025938

FAQ

What are the physical and chemical properties of 1-Phenyl-1,3-decanedione (CAS: 68892-13-7)?

1-Phenyl-1,3-decanedione is a white crystalline solid with a molecular weight of approximately 214.23 g/mol. It has limited water solubility (0.015 g/L at 20°C) and good solubility in organic solvents such as ethanol and acetone. Chemically, it is highly reactive towards nucleophiles and can undergo condensation reactions. It is stable under normal storage conditions but should be stored in a dry place away from direct sunlight.

How is 1-Phenyl-1,3-decanedione (CAS: 68892-13-7) typically synthesized?

1-Phenyl-1,3-decanedione is commonly synthesized via condensation of 1,3-decanedione and phenylhydrazine. The reaction is typically catalyzed by an acid such as sulfuric acid, with a yield of about 85%. The product is obtained as a white solid which is then purified by recrystallization.

What industries use 1-Phenyl-1,3-decanedione (CAS: 68892-13-7)?

1-Phenyl-1,3-decanedione is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry for the modification of polymer properties, and in the sensor industry for developing chemical sensors due to its reactivity towards nucleophiles.

What precautions should be taken when handling 1-Phenyl-1,3-decanedione (CAS: 68892-13-7)?

When handling 1-Phenyl-1,3-decanedione, it is important to wear protective equipment such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using an appropriate absorbent material, and the area should be thoroughly flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.