ethyl 5-oxohexanoate

Basic Information

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CAS Number

13984-57-1

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

Boiling Point

221-222 ℃

Flash Point

69℃(156.2℉)(lit.)

Refractive Index

n20/D 1.427(lit.)

SMILES

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CCOC(=O)CCCC(=O)C

InChI

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

InChIKey

MGPSIDGTLFKDEY-UHFFFAOYSA-N

LogP

1.3088000000000002

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

140

Synonyms & References

English

CS-W010896
MFCD00009213
UNII-DJ9EME6QBQ
Ethyl 4-acetylbutyrate
ETHYL4-ACETYLBUTYRATE
BKN
NS00024520
ethyl 4-acetyl-butanoate
5-oxo-hexanoic acid ethyl ester
EINECS 237-776-7
FT-0626069
5-Oxohexanoic acid ethyl ester
Hexanoic acid, 5-oxo-, ethyl ester
Ethyl 4-acetylbutanoate
J-800372
AS-44005
Ethyl 5-oxohexanoate
MGPSIDGTLFKDEY-UHFFFAOYSA-
InChI=1/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
13984-57-1
SY033235
AKOS015915557
EN300-105271
DJ9EME6QBQ
SCHEMBL723390
DTXSID6065688
A885944
Ethyl 4-acetylbutyrate, 98%
5-Oxohexanoic Acid Ethyl Ester
C8H14O3
ethyl 5-oxohexanoate

MDL Number

MFCD00009213

Customs Code

2918300090

FAQ

What is ethyl 5-oxohexanoate (CAS: 13984-57-1)?

Ethyl 5-oxohexanoate (CAS: 13984-57-1) is an organic compound with the molecular formula C7H12O3. It is a colorless liquid with a slight fruity odor. This compound is commonly used as a fragrance and flavoring agent, and it has applications in the pharmaceutical and perfume industries.

What are the main uses of ethyl 5-oxohexanoate (CAS: 13984-57-1)?

Ethyl 5-oxohexanoate (CAS: 13984-57-1) is primarily used as a fragrance and flavoring agent in the perfumery and food industries. It is also utilized in pharmaceuticals and as a solvent in various chemical processes.

Is ethyl 5-oxohexanoate (CAS: 13984-57-1) safe?

Ethyl 5-oxohexanoate (CAS: 13984-57-1) is generally considered safe when used as directed. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles, to prevent skin and eye irritation. This compound should be handled in a well-ventilated area to avoid inhalation risks.

How should ethyl 5-oxohexanoate (CAS: 13984-57-1) be stored?

Ethyl 5-oxohexanoate (CAS: 13984-57-1) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. The storage temperature should be maintained below 25°C (77°F) to prevent degradation. It is advisable to store this compound in a well-ventilated area to avoid the risk of flammability and to ensure optimal stability.