Butyl Isobutyrate

Basic Information

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CAS Number

97-87-0

Molecular Formula

C8H16O2

Molecular Weight

144.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-88.07°C (estimate)

Boiling Point

150°C

Density

0.862 g/mL at 25 °C

Flash Point

110 °F

Refractive Index

n20/D 1.401(lit.)

SMILES

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CCCCOC(=O)C(C)C

InChI

InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3

InChIKey

JSLCOZYBKYHZNL-UHFFFAOYSA-N

LogP

1.9857

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

97.4

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

butyl isobutyrate
BUTYL-iso-BUTYRATE FCC
Isobutyric acid n- butyl ester
butyl 2-methylpropanoate
Isobutyric Acid Butyl Ester
Isobutyric acid, butyl ester (6CI, 7CI, 8CI)
1-Butyl 2-methylpropionate
1-Butyl isobutyrate
Butyl 2-methyl-1-propanoate
Butyl 2-methylpropanoate
Butyl 2-methylpropionate
Butyl isobutanoate
Butyl isobutyrate
n-Butyl isobutyrate

MDL Number

MFCD00048773

Customs Code

2915900090

FAQ

What is Butyl Isobutyrate (CAS: 97-87-0)?

Butyl Isobutyrate (CAS: 97-87-0) is an odorant compound commonly used in the food industry to impart a fruity smell. It has a boiling point of 145.7°C and a molecular formula of C7H14O2.

What are the main uses of Butyl Isobutyrate (CAS: 97-87-0)?

Butyl Isobutyrate (CAS: 97-87-0) is primarily used as a food additive to enhance the flavor of confectionery, baked goods, and alcoholic beverages. It is also used in perfumery and as a fragrance in personal care products.

Is Butyl Isobutyrate (CAS: 97-87-0) safe?

Butyl Isobutyrate (CAS: 97-87-0) is considered safe for use in food and cosmetic products when used within the specified limits. However, it is important to follow safety guidelines, such as avoiding inhalation and skin contact, and using appropriate protective equipment.

How should Butyl Isobutyrate (CAS: 97-87-0) be stored?

Butyl Isobutyrate (CAS: 97-87-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent evaporation and ensure the quality of the product. Storage temperature should not exceed 25°C.