Octyl 2-methylpropanoate

Basic Information

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CAS Number

109-15-9

Molecular Formula

C12H24O2

Molecular Weight

200.32 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-56°C (estimate)

Boiling Point

245 °C

Flash Point

206 °F

Refractive Index

n20/D 1.421(lit.)

SMILES

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CCCCCCCCOC(=O)C(C)C

InChI

InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3

InChIKey

PQCYCHFQWMNQRJ-UHFFFAOYSA-N

LogP

3.5461000000000027

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

Propanoic acid,2-methyl-, octyl ester
acetyl 2-methylpropanoate
isobutyric acid, octyl ester
n-octyl isobutyrate
octyl 2-methylpropanoate
ent24265
FEMA 2808
Octylisobutyrat
OCLyl Isobutyrate
OCTYL ISOBUTYRATE
octyl isobutanoate
N OCTYL ISOBUTYRATE
CAPRYLYL ISOBUTYRATE
ENT 24265
octyl2-methylpropanoate

MDL Number

MFCD00048933

FAQ

What are the physical and chemical properties of Octyl 2-methylpropanoate (CAS: 109-15-9)?

Octyl 2-methylpropanoate (CAS: 109-15-9) is a clear, colorless liquid with a fruity odor. It has a molecular weight of approximately 190.32 g/mol and a boiling point of 158-159°C. The compound is soluble in ethanol, acetone, and ethyl acetate. It is slightly soluble in water and reactive towards strong bases and acids. It is stable under normal conditions but can hydrolyze in the presence of water.

How is Octyl 2-methylpropanoate (CAS: 109-15-9) typically synthesized?

Octyl 2-methylpropanoate (CAS: 109-15-9) is typically synthesized via esterification of 2-methylpropanoic acid with octanol in the presence of a strong acid catalyst, such as sulfuric acid. The reaction is conducted at elevated temperatures, and the product is then purified by distillation. The reaction is selective and yields a high purity product with good efficiency.

What industries use Octyl 2-methylpropanoate (CAS: 109-15-9)?

Octyl 2-methylpropanoate (CAS: 109-15-9) is used in various industries, including pharmaceuticals, as a fragrance and flavoring agent; in polymers, as a plasticizer; in sensors, as a sensitive material; and in semiconductors, as a dopant. It is also used in the production of coatings and adhesives.

What precautions should be taken when handling Octyl 2-methylpropanoate (CAS: 109-15-9)?

When handling Octyl 2-methylpropanoate (CAS: 109-15-9), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials. In case of contact with skin or eyes, wash thoroughly with water. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).