2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate

Basic Information

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CAS Number

68227-51-0

Molecular Formula

C10H14O3

Molecular Weight

182.22 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

85°C/0.1mmHg

Density

1.07

Flash Point

134°C

Refractive Index

1.0630 to 1.0670

SMILES

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CCCC(OC1=C(C)CCC1=O)=O

InChI

InChI=1S/C10H14O3/c1-3-4-9(12)13-10-7(2)5-6-8(10)11/h3-6H2,1-2H3

InChIKey

SUJWBOKDKMEAOQ-UHFFFAOYSA-N

LogP

1.9666

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

263

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Methyl-5-oxocyclopent-1-en-1-yl butyrate
2-Methyl-5-oxo-1-cyclopentenyl Butyrate
(2-methyl-5-oxocyclopenten-1-yl) butanoate
Butanoic acid, 2-methyl-5-oxo-1-cyclopenten-1-yl ester
CYCLOTENE BUTYRATE
2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate
2-methyl-5-oxocyclopent-1-en-1-yl butanoate
3-Methyl-2-hydroxy-2-cyclopenten-1-one, butyrate
Cycloten butyrate
Butyric Acid 2-Methyl-5-oxo-1-cyclopentenyl Ester
AQY4Q6ZUD4
SUJWBOKDKMEAOQ-UHFFFAOYSA-N
0514AC
DS
Butanoic acid 2-methyl-5-oxo-1-cyclopenten-1-yl ester

MDL Number

MFCD00798052

FAQ

What is 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate (CAS: 68227-51-0)?

2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate is a cyclic ester compound. It has the chemical formula C9H12O3 and is known for its distinctive odor. This compound is used in fragrance and flavor applications due to its characteristic scent.

What are the main uses of 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate (CAS: 68227-51-0)?

2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate is primarily used as a fragrance and flavoring agent in the food, cosmetic, and perfume industries. It is also employed in some pharmaceutical formulations for its olfactory properties.

Is 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate (CAS: 68227-51-0) safe?

2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate is generally considered safe for use in food and cosmetic products when used in accordance with regulatory guidelines. However, users should take necessary precautions, such as avoiding contact with skin and eyes, and using appropriate personal protective equipment.

How should 2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate (CAS: 68227-51-0) be stored?

2-Methyl-5-oxo-1-cyclopenten-1-yl butyrate 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 degradation. Storage temperatures should be maintained between 15°C to 25°C (59°F to 77°F) to ensure its stability and effectiveness.