Butanoic acid, 2-methyl-, butyl ester

Basic Information

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CAS Number

15706-73-7

Molecular Formula

C9H18O2

Molecular Weight

158.24 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

174-176 °C

Boiling Point

173-176 °C/730 mmHg

Refractive Index

n20/D 1.408-1.410<br />n20/D 1.409(lit.)

SMILES

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CCCCOC(=O)C(CC)C

InChI

InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3

InChIKey

OTKQNSSMCDLVQV-UHFFFAOYSA-N

LogP

2.375800000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

110

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

Butanoic acid,2-methyl-, butyl ester
N-Butyl 2-Methylbutyrate
Butyl 2-methylbutyrate
NATURAL 2-METHYL BUTYL BUTYRATE FEMA NO.--------
utyl 2-methylbutyrate
butyl 2-methylbutanoate
Butanoic acid, 2-methyl-, butyl ester
n-Butyl-2-methylbutyrate
alpha-Butyl 2-methylbutylate
butyl 2-methyl butyrate
Butyric acid, 2-methyl-, butyl ester
FEMA No. 3393
butyl 2-methyl-butanoate
n-Butyl-2-methylbutyrate (natural)
n-Butyl 2-methyl butyrate
BUTYL-2-METHYLBUTYRATE
DSSTox_CID_27046
DSSTox_RID_82067

MDL Number

MFCD00042902

FAQ

What is Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7)?

Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7) is an organic compound with the molecular formula C8H16O2. It has a pungent, malty odor. This ester is used in various applications including fragrance and flavoring agents, as well as in research and industrial settings.

What are the main uses of Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7)?

Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7) is primarily used as a fragrance and flavoring agent in the food industry. It is also used in perfumery and as a solvent in laboratory settings. This compound is sometimes used in the production of synthetic musks and in the pharmaceutical industry for certain formulations.

Is Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7) safe?

Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7) is generally considered safe for use in food and pharmaceutical applications. However, it should be handled with care. It is flammable and may cause skin and eye irritation. Proper handling, including the use of personal protective equipment, is recommended.

How should Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7) be stored?

Butanoic acid, 2-methyl-, butyl ester (CAS: 15706-73-7) 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 evaporation and contamination. The storage temperature should not exceed 25°C (77°F).