Ethyl 2-acetylhexanoate

Basic Information

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CAS Number

1540-29-0

Molecular Formula

C10H18O3

Molecular Weight

186.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

224°C

Flash Point

65°C/1mm

Refractive Index

1.4320

SMILES

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CCCCC(C(=O)C)C(=O)OCC

InChI

InChI=1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3

InChIKey

ZTOQBHVLCJERBS-UHFFFAOYSA-N

LogP

1.9448999999999999

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

175

Synonyms & References

English

3-CARBETHOXY-2-HEPTANONE
D70262
B0702
2-acetyl-hexanoic acid ethyl ester
UNII-CKN84UW7SK
MFCD00026888
NSC25322
Ethyl .alpha.-butylacetoacetate
EINECS 216-271-5
DTXSID20862687
ethyl 2-N-butylacetoacetate, AldrichCPR
SCHEMBL650590
Ethyl 2-n-butylacetoacetate
CKN84UW7SK
NSC 11771
NSC-404202
ethyl butyl acetoacetate
1540-29-0
NS00047597
Ethyl 2-butylacetoacetate
NSC 25322
(+/-)-ETHYL 2-ACETYLHEXANOATE
Hexanoic acid, 2-acetyl-, ethyl ester
SY036832
NSC-11771
EN300-49173
InChI=1/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H
NSC 404202
NSC404202
ETHYL 2-ACETYLHEXANOATE, (+/-)-
2-Acetylhexanoic Acid Ethyl Ester

MDL Number

MFCD00026888

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Ethyl 2-acetylhexanoate (CAS: 1540-29-0)?

Ethyl 2-acetylhexanoate (CAS: 1540-29-0) is regulated by the GHS system for classification and labeling under hazardous substances. It is also covered by REACH regulations in the EU, requiring manufacturers and importers to register with the European Chemicals Agency. In the United States, the FDA and EPA have specific requirements for its use and disposal, ensuring it meets safety and environmental standards.

Are there alternatives to Ethyl 2-acetylhexanoate (CAS: 1540-29-0) in synthesis?

Yes, there are several alternatives to Ethyl 2-acetylhexanoate (CAS: 1540-29-0) in synthesis, including other esters and related organic compounds. Common alternatives include ethyl hexanoate and ethyl acetate, which can serve similar functional roles in various chemical processes, providing flexibility in synthesis and formulation.

What is the market or research trend for Ethyl 2-acetylhexanoate (CAS: 1540-29-0)?

The market for Ethyl 2-acetylhexanoate (CAS: 1540-29-0) is driven by its use in flavor and fragrance industries. Research trends are focusing on the development of safer and more sustainable alternatives while maintaining the desirable sensory properties. There is also growing interest in its application in the pharmaceutical and cosmetic sectors, reflecting a broader market trend towards natural and synthetic flavorings.

How should waste containing Ethyl 2-acetylhexanoate (CAS: 1540-29-0) be handled?

Waste containing Ethyl 2-acetylhexanoate (CAS: 1540-29-0) should be collected in appropriate containers and stored in a safe and secure area. Proper incineration or professional waste disposal methods should be used to ensure safe disposal. Environmental protection precautions should include monitoring for any potential spills, and following local regulations for hazardous waste management to prevent environmental contamination.