2-Hexyl-2-cyclopenten-1-one

Basic Information

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CAS Number

95-41-0

Molecular Formula

C11H18O

Molecular Weight

166.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

254.5°C (rough estimate)

Density

0.8997 (rough estimate)

Refractive Index

1.4677 (estimate)

SMILES

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CCCCCCC1=CCCC1=O

InChI

InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3

InChIKey

VGECIEOJXLMWGO-UHFFFAOYSA-N

LogP

3.246100000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

179

Synonyms & References

English

dihydroisojasmone
Dihydro-iso-Jasmone
2-hexylcyclopent-2-en-1-one
ISOJASMONE
2-Cyclopenten-1-one,2-hexyl
2-Hexyl-2-cyclopenten-1-one
2-Hexyl-2-cyclopentenone
2-hexylcyclopent-2-enone
2-n-Hexyl-2-cyclopenten-1-one
2-n-hexyl-2-cyclopentenone
EINECS 202-417-5
isojasmone B11
2-Hexyl-2-cyclopenten-1-one (ACI)
2-Hexyl-1-cyclopenten-3-one
2-Hexyl-2-cyclopenten-1-on
2-n-Hexyl-2-cyclopentenone
Dihydroisojasmone
Isojasmol
NSC 78462

MDL Number

MFCD00036481

Customs Code

2914299000

FAQ

What is 2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0)?

2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0) is a cyclic ketone compound with a unique mixture of cyclopentene and hexyl groups. It is colorless to light yellow liquid with a distinctive fruity odor. It has the molecular formula C11H18O and a molecular weight of approximately 166.26 g/mol.

What are the main uses of 2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0)?

2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0) is primarily used as a fragrance and flavoring agent in the perfume and food industries. It is also used in the synthesis of other organic compounds and in some pharmaceutical applications as a precursor.

Is 2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0) safe?

2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0) is generally considered safe for use in the food and cosmetic industries. However, it is important to follow proper handling procedures, such as avoiding skin and eye contact, and storing it in a cool, dry place away from heat and ignition sources. Always consult safety data sheets for detailed information.

How should 2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0) be stored?

2-Hexyl-2-cyclopenten-1-one (CAS: 95-41-0) should be stored in a cool, dry place away from direct sunlight, heat sources, and ignition. It should be kept in a tightly sealed container to prevent moisture and other contaminants. Store it at room temperature, and avoid freezing or allowing it to come into contact with strong acids or bases.