3-Ethylbicyclo[3.2.0]hept-3-en-6-one

Basic Information

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CAS Number

1235479-59-0

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

212.5±9.0 ºC (760 Torr),

Flash Point

79.5±13.7 ºC,

SMILES

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CCC1=CC2C(C1)CC2=O

InChI

InChI=1S/C9H12O/c1-2-6-3-7-5-9(10)8(7)4-6/h4,7-8H,2-3,5H2,1H3

InChIKey

QEGONAXSXKFDLY-UHFFFAOYSA-N

LogP

1.9317

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

203

Synonyms & References

English

3-Ethylbicyclo[3.2.0]hept-3-en-6-one
Bicyclo[3.2.0]hept-3-en-6-one, 3-ethyl-
AMY11199
BCP29249
3-Ethylbicyclo[3.2.0]hepta-3-ene-6-one
(1RS,5SR)-3-ethylbicyclo[3.2.0]hept-3-en-6-one
(1RS,5SR)-3-ethyl-bicyclo[3.2.0]hept-3-en-6-one
Mirogabalin Intermediate

MDL Number

MFCD24713107

FAQ

What is 3-Ethylbicyclo[3.2.0]hept-3-en-6-one (CAS: 1235479-59-0)?

3-Ethylbicyclo[3.2.0]hept-3-en-6-one is a cyclic ketone with the molecular formula C10H16O. It is a colorless liquid with a characteristic odor. This compound is used in the pharmaceutical industry for the synthesis of certain drugs, and it is also employed as a fragrance ingredient in the perfume industry.

What are the main uses of 3-Ethylbicyclo[3.2.0]hept-3-en-6-one (CAS: 1235479-59-0)?

3-Ethylbicyclo[3.2.0]hept-3-en-6-one is primarily used in the pharmaceutical industry for drug synthesis and as a fragrance ingredient in the perfume industry. It can also be used in research for organic synthesis due to its unique structural characteristics.

Is 3-Ethylbicyclo[3.2.0]hept-3-en-6-one (CAS: 1235479-59-0) safe?

3-Ethylbicyclo[3.2.0]hept-3-en-6-one is generally considered safe, but it is important to follow proper handling and storage guidelines. It should be used with caution and protective measures should be taken to avoid skin contact and inhalation. It is flammable and should be stored away from heat sources and ignition.

How should 3-Ethylbicyclo[3.2.0]hept-3-en-6-one (CAS: 1235479-59-0) be stored?

3-Ethylbicyclo[3.2.0]hept-3-en-6-one should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a well-ventilated area and in a tightly sealed container to prevent moisture and light exposure. The storage temperature should not exceed 25°C, and the container should be checked for any signs of deterioration or leakage.