Ethyl 7-oxoheptanoate

Basic Information

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CAS Number

3990-05-4

Molecular Formula

C9H16O3

Molecular Weight

172.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

88-91 ºC (0.2 Torr)

Flash Point

92.2±22.7 ºC,

Refractive Index

1.4405 (20 ºC)

SMILES

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CCOC(=O)CCCCCC=O

InChI

InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8-10/h8H,2-7H2,1H3

InChIKey

SQOMZPCAODNNSO-UHFFFAOYSA-N

LogP

1.6989

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

132

Synonyms & References

English

3990-05-4
FT-0696260
Heptanoic acid, 7-oxo-, ethyl ester
DTXSID40192953
SCHEMBL362356
N10484
AS-49776
MFCD07186258
AM20112003
ethyl7-oxoheptanoate
SQOMZPCAODNNSO-UHFFFAOYSA-N
Ethyl 7-oxoheptanoate
ethyl 6-formylhexanoate
NS00048853
EINECS 223-636-2
AKOS006286759
Heptanoic acid, 7-oxo-,ethyl ester
ACETONE O-(BENZYLOXYCARBONYL)OXIME
Ethyl 6-formylhexanoate

MDL Number

MFCD07186258

FAQ

What is Ethyl 7-oxoheptanoate (CAS: 3990-05-4)?

Ethyl 7-oxoheptanoate (CAS: 3990-05-4) is an organic compound with the chemical formula C8H14O3. It is a colorless liquid with a distinctive odor. This compound is used in various applications, including pharmaceuticals, fragrances, and as a chemical intermediate.

What are the main uses of Ethyl 7-oxoheptanoate (CAS: 3990-05-4)?

Ethyl 7-oxoheptanoate (CAS: 3990-05-4) is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It is also used in the fragrance industry due to its pleasant aroma and as a chemical intermediate in various organic synthesis processes.

Is Ethyl 7-oxoheptanoate (CAS: 3990-05-4) safe?

Ethyl 7-oxoheptanoate (CAS: 3990-05-4) is generally considered safe when handled with appropriate precautions. However, it should be stored away from heat and sources of ignition. Protective measures such as gloves and goggles are recommended during handling to avoid skin and eye contact.

How should Ethyl 7-oxoheptanoate (CAS: 3990-05-4) be stored?

Ethyl 7-oxoheptanoate (CAS: 3990-05-4) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in tightly sealed containers to prevent evaporation and contamination. Proper ventilation is essential during storage to avoid the formation of flammable vapors.