5-Methyl-3-heptanone

Basic Information

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CAS Number

541-85-5

Molecular Formula

C8H16O

Molecular Weight

128.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

-56.65°C

Boiling Point

157°C

Solubility

3g/l

Refractive Index

n20/D 1.414(lit.)

Vapor Pressure

Vapor pressure, kPa at 25 °C: 0.267

Vapor Density

Relative vapor density (air = 1): 4.4

SMILES

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CCC(C)CC(=O)CC

InChI

InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3

InChIKey

PSBKJPTZCVYXSD-UHFFFAOYSA-N

LogP

2.401700000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

86.6

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 3.2 Class 3.2

Explosive Limit

0.9-48%(V)

Synonyms & References

English

5-Methylheptan-3-one
Amyl Ethyl Ketone
3-Heptanone, 5-methyl-
5-METHYL-3-HEPTANONE
5-Methyl-3-heptanone Solution
METHYL-3-HEPTANONE, 5-(AS)
3-Heptanone,5-methyl
3-METHYL-5-HEPTANONE
5-methyl-3-heptanon
5-Methylheptan-3-on
5-methyl-heptan-3-one
Ethyl Amyl Ketone
ETHYL ISOAMYL KETONE
ethylsec-amylketone
ISOAMYL ETHYL KETONE
rac-5-methyl-heptan-3-one

MDL Number

MFCD00009340

Customs Code

2914190090

FAQ

What are the physical and chemical properties of 5-Methyl-3-heptanone (CAS: 541-85-5)?

5-Methyl-3-heptanone (CAS: 541-85-5) is a colorless liquid with a boiling point of 129°C and a density of 0.855 g/cm³. Its molecular weight is 116.19 g/mol. It is slightly soluble in water but soluble in most organic solvents. It is reactive and can undergo hydrolysis under basic conditions.

How is 5-Methyl-3-heptanone (CAS: 541-85-5) typically synthesized?

5-Methyl-3-heptanone (CAS: 541-85-5) is typically synthesized through the oxidation of 5-methyl-3-heptanol. This process can be catalyzed by palladium on carbon or potassium permanganate. The yield is generally high, and the reaction is selective, producing 5-Methyl-3-heptanone with good purity.

What industries use 5-Methyl-3-heptanone (CAS: 541-85-5)?

5-Methyl-3-heptanone (CAS: 541-85-5) is used in the pharmaceutical industry for synthesis of certain intermediates, in polymer production for plasticizers, and in the food industry as a flavoring agent. It is also utilized in sensor technologies and semiconductor manufacturing as a precursor.

What precautions should be taken when handling 5-Methyl-3-heptanone (CAS: 541-85-5)?

When handling 5-Methyl-3-heptanone (CAS: 541-85-5), appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn. It should be stored in a cool, well-ventilated area away from sources of ignition. In the event of a spill, the area should be ventilated and the material should be carefully cleaned up using appropriate procedures. Always refer to the Safety Data Sheet (SDS) for detailed safety information.