6-Methyl-2-heptanone

Basic Information

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CAS Number

928-68-7

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

-32.24°C (estimate)

Boiling Point

171°C

Density

0.8203 g/cm3 (20 ºC)

Flash Point

44.6±7.5 ºC,

Refractive Index

1.4171 (589.3 nm 20 ºC)

SMILES

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CC(C)CCCC(=O)C

InChI

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

InChIKey

DPLGXGDPPMLJHN-UHFFFAOYSA-N

LogP

2.401700000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

84.6

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

6-Methylheptan-2-one
Methyl 4-Methylpentyl Ketone
2-Heptanone, 6-methyl-
6-Methyl-2-heptanone
Isooctan-2-one
Methyl isohexyl ketone
NSC 39665
6-Methyl-2-heptanone (ACI)
2-Isooctanone
2-Methyl-6-heptanone
6-Methylhept-2-one

MDL Number

MFCD00026527

Customs Code

2914190090

FAQ

What regulatory guidelines apply to 6-Methyl-2-heptanone (CAS: 928-68-7)?

6-Methyl-2-heptanone (CAS: 928-68-7) should comply with the GHS classification, REACH regulations, and FDA/EPA related requirements. It is classified as irritant to eyes and skin and requires proper labeling. Companies must register it with the relevant authorities and ensure it is stored and transported safely according to the guidelines.

Are there alternatives to 6-Methyl-2-heptanone (CAS: 928-68-7) in synthesis?

Yes, alternatives to 6-Methyl-2-heptanone (CAS: 928-68-7) in synthesis include 7-Methyl-2-heptanone and 2-Octanone. These can serve as similar functional groups and can be used as precursors in organic synthesis, providing options for chemists depending on their specific needs and requirements.

What is the market or research trend for 6-Methyl-2-heptanone (CAS: 928-68-7)?

The market for 6-Methyl-2-heptanone (CAS: 928-68-7) is steadily growing due to its use in fragrance and flavor industries. Research trends are focusing on its applications in cosmetics and food products. There is also increasing interest in exploring its potential in pharmaceutical and chemical synthesis due to its unique properties.

How should waste containing 6-Methyl-2-heptanone (CAS: 928-68-7) be handled?

Waste containing 6-Methyl-2-heptanone (CAS: 928-68-7) should be collected in appropriate containers and stored separately to prevent contamination. It should be disposed of according to local waste management regulations. For large quantities, professional waste disposal services are recommended to ensure safe incineration or other environmentally friendly methods.