6-Methyl-5-hepten-2-one

Basic Information

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CAS Number

110-93-0

Molecular Formula

C8H14O

Molecular Weight

126.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

-67.1 ºC

Boiling Point

73 °C/18 mmHg

Solubility

Soluble in methanol and chloroform.

Refractive Index

n20/D 1.439(lit.)

SMILES

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CC(=CCCC(=O)C)C

InChI

InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

InChIKey

UHEPJGULSIKKTP-UHFFFAOYSA-N

LogP

2.3218000000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

119

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Explosive Limit

1.1-7.3%(V)

Synonyms & References

English

6-Methylhept-5-en-2-one
6-METHYL-5-HEPTEN-2-ONE
6-METHYL-5-HEPTENE-2-ONE
6-METHYL-HEPT-5-EN-2-ONE
FEMA 2707
Methyl isohexenyl ketone
2-Methyl-6-oxo-2-heptene
2-methylhept-2-en-6-one
2-Oxo-6-methylhept-5-ene
5-Hepten-2-one,6-methyl-
6-methyI-5-hepten-2-one
6-methyl-5-hepten-2-on
6-Methyl-5-hepten-2-one,(2-2-6)
6-methylhept-
6-methylhept-5-en
6-Methyl-hept-5-en-2-on
-Methyl hept-5-en-2-one
Methyl-(4-methyl-3-pentenyl)-keton
methyl-5-hepten-2-one
6-Methyl-hepten-2-on
6-Methyl-hepten-2-one
2-Methyl-2-hepten-6-one
2-methyl-hept-2-ene-6-one
6-methyl-2-keto-hept-5-ene
6-methylhept
6-methylhept-5-en-one
Methyl hepten
METHYLHEPTENON
Prenylacetone
Methylheptenone
sulcatone

MDL Number

MFCD00008905

Customs Code

2914190090

FAQ

What are the physical and chemical properties of 6-Methyl-5-hepten-2-one (CAS: 110-93-0)?

6-Methyl-5-hepten-2-one (CAS: 110-93-0) is a colorless liquid with a fruity odor. It has a molecular weight of 110.17 g/mol and a specific rotation of 17.5°. This compound is slightly soluble in water but miscible with most organic solvents. It is a ketone, and it is known for its reactivity with various nucleophiles. Its vapor pressure is approximately 0.05 mmHg at 25°C.

How is 6-Methyl-5-hepten-2-one (CAS: 110-93-0) typically synthesized?

6-Methyl-5-hepten-2-one (CAS: 110-93-0) is commonly synthesized through the oxidation of 6-methyl-5-hepten-2-ol using chromic acid or similar oxidizing agents. The reaction is typically carried out in the presence of a catalyst such as sulfuric acid. The yield and selectivity can be enhanced by optimizing reaction conditions, such as temperature and solvent choice.

What industries use 6-Methyl-5-hepten-2-one (CAS: 110-93-0)?

6-Methyl-5-hepten-2-one (CAS: 110-93-0) is widely used in the fragrance and flavor industry due to its pleasant fruity aroma. It is also employed in the chemical and pharmaceutical industries for the synthesis of various compounds. Additionally, it is utilized in the polymer industry as a monomer and in the production of sensors and semiconductors.

What precautions should be taken when handling 6-Methyl-5-hepten-2-one (CAS: 110-93-0)?

When handling 6-Methyl-5-hepten-2-one (CAS: 110-93-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation. Spills should be cleaned up immediately using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.