Ethyl 3-oxohexanoate

Basic Information

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CAS Number

3249-68-1

Molecular Formula

C8H14O3

Molecular Weight

158.2 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

Melting Point

-44°C

Boiling Point

104 °C/22 mmHg

Refractive Index

n20/D 1.427(lit.)

SMILES

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CCCC(=O)CC(=O)OCC

InChI

InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

InChIKey

KQWWVLVLVYYYDT-UHFFFAOYSA-N

LogP

1.3088

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

140

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

3-KETOHEXANOIC ACID ETHYL ESTER
3-KETO-N-HEXANOIC ACID ETHYL ESTER
3-OXOHEXANOIC ACID ETHYL ESTER
AKOS 220-93
BUTYRYLACETIC ACID ETHYL ESTER
ETHYL 3-KETOHEXANOATE
ETHYL 3-OXOHEXANOATE
Ethyl beta-ketohexanoate
ETHYL B-KETOCAPROATE
ETHYL BUTYROYL ACETATE
ETHYL BUTYRYLACETATE
FEMA 3683
3-oxo-hexanoicaciethylester
Ethyl alpha-butyrylacetate
Ethyl butyroacetate
Butyrylacetic acid ethyl ester~Ethyl 3-oxohexanoate~3-Oxohexanoic acid ethyl ester
ERHYL BUTYRYLACETATE
Ehtyl butyryl acetate
3-Oxo-hexanoic acid ethyl ester
EINECS 221-835-9
ethyl 2-ethylacetoacetate
ethyl 3-oxo-caproate
ethyl 3-oxo-hexanoate
FEMA No. 3683
Hexanoic acid,3-oxo-,ethyl ester
n-PrCOCH2CO2Et
Ethylbutyrylacetate
Ethyl Butyrylacetate
Ethyl 3-Ketohexanoate
3-Ketohexanoic Acid Ethyl Ester
3-Oxohexanoic Acid Ethyl Ester

MDL Number

MFCD00009401

Customs Code

29183000

FAQ

What is Ethyl 3-oxohexanoate (CAS: 3249-68-1)?

Ethyl 3-oxohexanoate is a chemical compound with the CAS number 3249-68-1. Its chemical formula is C7H12O3. This compound is characterized by its fruity aroma and is used in various applications due to its pleasant odor.

What are the main uses of Ethyl 3-oxohexanoate (CAS: 3249-68-1)?

Ethyl 3-oxohexanoate is primarily used as a flavoring agent in the food and beverage industry. It is also used in the fragrance industry for perfumes and cosmetics. Additionally, it finds applications in the pharmaceutical industry as a precursor for other compounds.

Is Ethyl 3-oxohexanoate (CAS: 3249-68-1) safe?

Ethyl 3-oxohexanoate is considered safe for use in the food, fragrance, and pharmaceutical industries. However, it is important to follow safety guidelines and use appropriate protective equipment. Exposure to high concentrations may cause irritation. It is advisable to handle this compound with care and store it in a well-ventilated area.

How should Ethyl 3-oxohexanoate (CAS: 3249-68-1) be stored?

Ethyl 3-oxohexanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Containers should be labeled clearly and stored in a secure location to prevent unauthorized access.