3-Methylbutyl acetate

Basic Information

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CAS Number

123-92-2

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

−78 °C

Boiling Point

142 °C/756 mmHg

Solubility

ethanol: soluble1ml/3ml, clear, colorless (60%ethanol)

Refractive Index

n20/D 1.4(lit.)

Vapor Pressure

5 mmHg ( 25 °C)

SMILES

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CC(C)CCOC(=O)C

InChI

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

InChIKey

MLFHJEHSLIIPHL-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 Class 3

Explosive Limit

1-10%(V)

Synonyms & References

English

Isoamyl acetate
Isoamylacetatemixtureofisomers
Isopentyl acetate
Acetic Acid Isoamyl Ester
Isoamyl Acetate [for Spectrophotometry]
ISOAMYL ACETATE, GC STANDARD
3-methyl-1-butanol acetate
3-methyl-1-butyl acetate
3-Methylbutyl Acetate
ACETATE AMYLE
Acetic acid 3-methylbutyl ester,Isoamyl acetate
acetic acid isopentyl ester
Banana oil
FEMA 2055
femanumber2055
i-amylacetate
ISOAMYLACETAT
isomyl acetate
iso-pentyl acetate
Acetic acid-3-
PENTYL ACETATE
i-Amyl acetate
Isopentyl Acetate
3-Methylbutyl acetate
Acetic acid isoamyl ester

MDL Number

MFCD00008946

Customs Code

2915390090

FAQ

What are the physical and chemical properties of 3-Methylbutyl acetate (CAS: 123-92-2)?

3-Methylbutyl acetate (CAS 123-92-2) is a colorless liquid with a fruity odor. Its molecular weight is approximately 120.18 g/mol. It is moderately soluble in water but miscible with a variety of organic solvents. Chemically, it is relatively stable under normal conditions but can react with strong oxidizers. It has a melting point of -37°C and a boiling point of 114°C.

How is 3-Methylbutyl acetate (CAS: 123-92-2) typically synthesized?

3-Methylbutyl acetate (CAS 123-92-2) is typically synthesized via esterification of acetic acid with 3-methylbutanol. Common catalysts used include sulfuric acid or toluene sulfonic acid. The reaction is typically carried out at temperatures between 80-100°C. The product is isolated by distillation and can be purified further through column chromatography if needed.

What industries use 3-Methylbutyl acetate (CAS: 123-92-2)?

3-Methylbutyl acetate (CAS 123-92-2) is used in a variety of industries. It is a key component in the production of perfumes and fragrances due to its fruity aroma. It also finds applications in the pharmaceutical industry as a solvent or intermediate. Additionally, it is used in the polymer industry as a plasticizer and in the sensor industry for its sensitivity to certain analytes.

What precautions should be taken when handling 3-Methylbutyl acetate (CAS: 123-92-2)?

When handling 3-Methylbutyl acetate (CAS 123-92-2), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a closed container and in a cool, well-ventilated area. Fume hoods should be used during handling to minimize inhalation risks. In case of a spill, it should be contained and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed emergency procedures.