2-Octanone | CAS No. 111-13-7

2-Octanone

Basic Information

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CAS Number

111-13-7

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

−16 °C

Boiling Point

173 °C

Water Solubility

0.9 g/L

Solubility

0.9g/l

Refractive Index

n20/D 1.416(lit.)

SMILES

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CCCCCCC(=O)C

InChI

InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3

InChIKey

ZPVFWPFBNIEHGJ-UHFFFAOYSA-N

LogP

2.5458000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

76.6

Safety Information

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GHS Hazard Pictograms

H226

H312

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H312 Harmful in contact with skin
Acute toxicity, dermal

Hazard Class

Class 3 Class 3

Stability

Stable. Incompatible with strong oxidizing agents. Flammable.

Synonyms & References

English

Octan-2-one
n-Hexyl methyl ketone
Methyl hexyl ketone
SEC-OCTANONE
OCTANONE,2-
MHK
FEMA 2802
HEXYL METHYL KETONE
METHYL N-HEXYL KETONE
2-Octanone
2-Octanoneneat
OCTANONE, 2-(AS)
1-methoxy-hexane
Ether,hexyl methyl
Hexane,1-methoxy
hexylmethyl ether
methoxyhexane
Methyl hexyl ether
Methyl-n-Hexyl ether
n-Hexyl Methyl Ether
octane 2-oxide
octan-2-
2-Octanon
Octan-2-on
2-OCLanone
2-oxooctane
Octanone
2-Octanone (natural)
FEMA Number 2802
FEMA No. 2802
J2G84H29AF

MDL Number

MFCD00009540

Customs Code

29141990

FAQ

What is 2-Octanone (CAS: 111-13-7)?

2-Octanone is an organic compound with the chemical formula C8H16O. It is a colorless, volatile liquid with a sweet, fruity odor, commonly used as a solvent and flavoring agent. As a ketone, it exhibits moderate polarity and is soluble in organic solvents. Its molecular structure features a carbonyl group (C=O) on the second carbon of an eight-carbon chain, contributing to its chemical reactivity and applications in various industries.

What are the main uses of 2-Octanone (CAS: 111-13-7)?

2-Octanone is widely used in the food industry as a flavoring agent, imparting a buttery or fruity aroma to products. In pharmaceuticals, it serves as a solvent and intermediate in drug synthesis. Industrially, it is employed in polymer manufacturing and as a component in perfumes. Researchers use it in organic chemistry for reactions and as a reference standard due to its stability and predictable behavior.

Is 2-Octanone (CAS: 111-13-7) safe?

2-Octanone is generally considered safe when handled properly, but it requires caution. Inhalation or skin contact may cause irritation, so occupational safety measures like ventilation and PPE are recommended. It is not classified as a hazardous substance under OSHA standards, but its handling should follow standard chemical safety protocols to minimize risks. Always consult safety data sheets for specific precautions.

How should 2-Octanone (CAS: 111-13-7) be stored?

2-Octanone should be stored in a tightly sealed, dark container in a cool, dry place (ideally below 25°C) to maintain stability. It is sensitive to light and moisture, so storage in airtight, non-reactive materials like glass or stainless steel is essential. Avoid exposure to heat sources and ensure proper ventilation to prevent vapor accumulation. Keep away from incompatible substances to ensure safe storage practices.