2-Methyl-4-heptanone

Basic Information

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CAS Number

626-33-5

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

-32.24°C (estimate)

Boiling Point

155°C

Density

0,81 g/cm3

Flash Point

44°C

Refractive Index

1.4090 to 1.4110

SMILES

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CCCC(=O)CC(C)C

InChI

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

InChIKey

AKRJXOYALOGLHQ-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 Class 3

Synonyms & References

English

2-Methylheptan-4-one
2-Methyl-4-heptanone
4-Heptanone, 2-methyl-
Isobutyl Propyl Ketone

MDL Number

MFCD00027143

Customs Code

2914190090

FAQ

What regulatory guidelines apply to 2-Methyl-4-heptanone (CAS: 626-33-5)?

2-Methyl-4-heptanone (CAS: 626-33-5) falls under the European Union's REACH regulations, which require manufacturers and importers to register substances if the annual tonnage is above 1 ton. It is classified as a flammable liquid under the Globally Harmonized System (GHS) and may require specific handling and storage practices as per the International Labour Organization's ILO conventions. FDA regulations may apply to its use in food-related applications, while EPA guidelines could be relevant if it is used in the production of pesticides or other regulated chemicals.

Are there alternatives to 2-Methyl-4-heptanone (CAS: 626-33-5) in synthesis?

While 2-Methyl-4-heptanone (CAS: 626-33-5) is a useful solvent and intermediate in organic synthesis, there are alternative reagents such as 2-heptanone and 4-heptanone. These can sometimes be used directly or through minor modifications to the synthesis route. However, the choice of alternative depends on the specific reaction conditions and desired end product.

What is the market or research trend for 2-Methyl-4-heptanone (CAS: 626-33-5)?

The market for 2-Methyl-4-heptanone (CAS: 626-33-5) is growing due to its use in various applications including as a flavoring agent, solvent, and intermediate in the production of fragrances and pharmaceuticals. Research trends indicate increasing interest in using it as a bio-based alternative to petrochemical-derived solvents, driven by sustainability goals and environmental concerns. The market is expected to expand with advancements in green chemistry and industrial biotechnology.

How should waste containing 2-Methyl-4-heptanone (CAS: 626-33-5) be handled?

Waste containing 2-Methyl-4-heptanone (CAS: 626-33-5) should be managed in accordance with local regulations and environmental guidelines. Waste liquid should be collected in appropriate containers, labeled as flammable and potentially volatile, and stored in a well-ventilated area. For disposal, it is recommended to use a professional waste management service, as it may need to be incinerated or treated with an approved chemical process to ensure compliance with environmental protection standards. Protective measures such as gloves and goggles should be worn during handling to prevent skin and eye contact.