4-Methyl-1-phenyl-1-pentanone

Basic Information

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CAS Number

2050-07-9

Molecular Formula

C12H16O

Molecular Weight

176.26 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

-1°C

Boiling Point

255.5°C (estimate)

Refractive Index

1.5330 (estimate)

SMILES

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CC(C)CCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

WRJZDDJYWWJLIS-UHFFFAOYSA-N

LogP

3.305500000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

155

Synonyms & References

English

.GAMMA.-METHYLVALEROPHENONE
NSC-177472
2-METHYL-5-PHENYLPENTAN-5-ONE
NSC 177472
SCHEMBL725762
AKOS009339043
2050-07-9
DTXSID10174483
LU45GJ7EDL
4-Methyl-1-phenylpentan-1-one
4-Methyl-valerophenone
4-METHYLPENTANOPHENONE
Y11605
VALEROPHENONE, 4-METHYL-
4-methyl-1-phenyl-1-pentanone
Isocaprophenone
NS00026647
4-methyl-1-phenyl-pentan-1-one
4-Methylvalerophenone
isohexanophenone
UNII-LU45GJ7EDL
1-Pentanone, 4-methyl-1-phenyl-
NSC177472
Isocaprophenon
EINECS 218-079-7
1-PHENYL-4-METHYLPENTAN-1-ONE
1-Pentanone,4-methyl-1-phenyl-
AC1Q1PAC; 4-Methylvalerophenone; NSC177472; 4-Methyl-1-phenyl-pentan-1-on; AC1Q5F4B; 4-methyl-1-phenyl-pentan-1-one; 4-methyl-1-phenyl-1-pentanone; AC1L2Z6D; AC1Q1PAD; 1-Pentanone, 4-methyl-1-phenyl-; SureCN725762; 5-Oxo-2-methyl-5-phenyl-pentan;

MDL Number

MFCD00026524

FAQ

What are the physical and chemical properties of 4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9)?

4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9) is a colorless to light yellow liquid with a molecular weight of 158.22 g/mol. It has a density of approximately 0.964 g/cm³ and is slightly soluble in water. This compound is moderately reactive and can undergo hydrogenation and oxidation reactions. It is also known for its aromatic and ketonic characteristics.

How is 4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9) typically synthesized?

4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9) is typically synthesized by the oxidation of 4-methyl-1-phenyl-1-pentanol using potassium permanganate or other suitable oxidizing agents. The reaction is carried out in an aqueous medium, and the yield is generally around 85-90%. This compound can also be prepared via the condensation of 4-methylbenzaldehyde and acetoacetic acid, followed by appropriate chemical modifications.

What industries use 4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9)?

4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the production of polymers, sensors, and semiconductors, where its aromatic and ketonic functionalities play a crucial role in the desired properties of the final products.

What precautions should be taken when handling 4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9)?

When handling 4-Methyl-1-phenyl-1-pentanone (CAS: 2050-07-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled with caution, and the spill area should be ventilated. In case of exposure, seek medical attention immediately and follow the safety data sheet (SDS) for further guidance.