5-Methyl-2-heptanone

Basic Information

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CAS Number

18217-12-4

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

159.85°C

Refractive Index

1.4165 (estimate)

SMILES

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CCC(C)CCC(=O)C

InChI

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

InChIKey

WYDAUGNQLUXTFB-UHFFFAOYSA-N

LogP

2.401700000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

86.6

Synonyms & References

English

CHEBI:195863
5-methylheptan-2-one
E85086
18217-12-4
Z955111260
EN300-260263
AKOS011384478
5-methyl-heptan-2-one
LMFA12000050
NS00113874
DTXSID30939531
2-Heptanone, 5-methyl-
5-METHYL-2-HEPTANONE
CS-0243170
SCHEMBL408474
FT-0692773
2-Heptanone,5-methyl

MDL Number

MFCD00048661

Customs Code

2914190090

FAQ

What regulatory guidelines apply to 5-Methyl-2-heptanone (CAS: 18217-12-4)?

5-Methyl-2-heptanone (CAS: 18217-12-4) should comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Manufacturers and importers must ensure the substance is properly labeled and documented according to these guidelines.

Are there alternatives to 5-Methyl-2-heptanone (CAS: 18217-12-4) in synthesis?

There are several alternatives to 5-Methyl-2-heptanone (CAS: 18217-12-4) in synthesis, such as 2-heptanone and methyl-3-heptanone. These alternatives can be used as substitutes depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 5-Methyl-2-heptanone (CAS: 18217-12-4)?

The market for 5-Methyl-2-heptanone (CAS: 18217-12-4) is growing due to its applications in fragrances, solvents, and chemical intermediates. Research is focusing on its use in sustainable chemistry and as a greener alternative in various industries.

How should waste containing 5-Methyl-2-heptanone (CAS: 18217-12-4) be handled?

Waste containing 5-Methyl-2-heptanone (CAS: 18217-12-4) should be collected in appropriate containers and disposed of by incineration or professional waste disposal services. Ensure proper precautions are taken to prevent environmental contamination and follow local waste management regulations.