Isobutyl propionate

Basic Information

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CAS Number

540-42-1

Molecular Formula

C7H14O2

Molecular Weight

130.19 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

−71 °C

Boiling Point

66 °C/60 mmHg

Solubility

1.7g/l

Refractive Index

n20/D 1.397(lit.)

SMILES

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CCC(=O)OCC(C)C

InChI

InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3

InChIKey

FZXRXKLUIMKDEL-UHFFFAOYSA-N

LogP

1.5956000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

86.9

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.2 Class 3.2

Explosive Limit

1.1-7.5%(V)

Synonyms & References

English

isobutyl propionate
2-Methyl-1-propyl propanoate
2-methylpropyl propanoate
Propionic Acid Isobutyl Ester

MDL Number

MFCD00009307

Customs Code

2915509000

FAQ

What is Isobutyl propionate (CAS: 540-42-1)?

Isobutyl propionate is an ester compound with the CAS number 540-42-1. It is commonly used in the fragrance and flavor industry. The compound has a distinct odor and is characterized by its solubility in organic solvents. It is also utilized in the production of synthetic fragrances and as a flavoring agent in the food industry.

What are the main uses of Isobutyl propionate (CAS: 540-42-1)?

Isobutyl propionate (CAS: 540-42-1) is primarily used as a fragrance and flavoring agent in the perfume, cosmetics, and food industries. It is also employed in the synthesis of other chemical compounds and as a solvent in various chemical processes.

Is Isobutyl propionate (CAS: 540-42-1) safe?

Isobutyl propionate (CAS: 540-42-1) is generally considered safe for use in the food and cosmetic industries when used according to established guidelines. However, it should be handled with care due to its flammable nature. Users should follow safety precautions, including proper ventilation and protective clothing. Exposure to high concentrations may cause irritation, so appropriate protective measures are recommended.

How should Isobutyl propionate (CAS: 540-42-1) be stored?

Isobutyl propionate (CAS: 540-42-1) 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 exposure to air and moisture. The storage area should have good ventilation to minimize the risk of flammability. Avoid contact with incompatible materials such as strong acids and alkalis.