4-Methyl-4-(methylsulfanyl)-2-pentanone

Basic Information

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CAS Number

23550-40-5

Molecular Formula

C7H14OS

Molecular Weight

146.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

78 ºC (15 mmHg)

Flash Point

113 ºC

Refractive Index

1.472

SMILES

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CSC(C)(C)CC(C)=O

InChI

InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3

InChIKey

DHANVOSHQILVNQ-UHFFFAOYSA-N

LogP

2.1071

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

108

Synonyms & References

English

4-Methyl-4-(methylthio)pentan-2-one
4-(Methylthio)-4-methyl-2-pentanone
4-Methylthio-4-methyl-2-pentanone
4-METHYL-4-(METHYLTHIO)-2-PENTANON
4-methyl-4-methylsulfanylpentan-2-one
4,4-dimethyl-5-thiahexan-2-one
4-methyl-4-methylsulfanyl-pentan-2-one
UNII-G69HK72Q3Y
4-Methyl-4-(methylmercapto)pentan-2-one
2-Pentanone, 4-methyl-4-(methylthio)-
4-Methyl-4-Methylthio-2-Pentanone
4-Methyl-4-(methylthio)-2-pentanone
G69HK72Q3Y
FEMA No. 3376
cassis pentanone
Corps Cassis
4-Methylmercapto-4-methylpentan-2-one
KSC490E2N
Jsp0

MDL Number

MFCD00049253

Customs Code

2930909090

FAQ

What is 4-Methyl-4-(methylsulfanyl)-2-pentanone (CAS: 23550-40-5)?

4-Methyl-4-(methylsulfanyl)-2-pentanone, also known as 4-Methylthio-2-pentanone, is a colorless liquid with a sweet almond-like odor. It has the chemical formula C7H12O2 and is used in various applications due to its aromatic properties.

What are the main uses of 4-Methyl-4-(methylsulfanyl)-2-pentanone (CAS: 23550-40-5)?

4-Methyl-4-(methylsulfanyl)-2-pentanone is primarily used as a fragrance ingredient in perfumery, as a solvent in organic synthesis, and as a flavoring agent in the food industry. It is also utilized in the pharmaceutical and chemical industries for various applications.

Is 4-Methyl-4-(methylsulfanyl)-2-pentanone (CAS: 23550-40-5) safe?

4-Methyl-4-(methylsulfanyl)-2-pentanone is generally considered safe when used as directed. However, it should be handled with care, as it may irritate the skin and eyes. Protective measures include wearing gloves and goggles, and ensuring proper ventilation during use.

How should 4-Methyl-4-(methylsulfanyl)-2-pentanone (CAS: 23550-40-5) be stored?

4-Methyl-4-(methylsulfanyl)-2-pentanone should be stored in a cool, dry place away from heat, moisture, and direct sunlight. It should be kept in a tightly sealed container to prevent degradation and contamination. Storage temperature should not exceed 25°C (77°F).