3-Methylbutyl propionate

Basic Information

View in Editor

CAS Number

105-68-0

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

-70.1°C (estimate)

Boiling Point

161°C

Flash Point

118 °F

Refractive Index

n20/D 1.406(lit.)

SMILES

View in Editor

CCC(=O)OCCC(C)C

InChI

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

InChIKey

XAOGXQMKWQFZEM-UHFFFAOYSA-N

LogP

1.9857

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

97.4

Safety Information

View Safety Information

GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.2 Class 3.2

Explosive Limit

1%(V)

Synonyms & References

English

isoamyl propionate
isopentyl propionate
3-Methylbutyl propionate
Isopentyl propanoate
3-methylbutyl propanoate
Propionic Acid Isoamyl Ester
isoamyl
FEMA 2082
AMYL PROPIONATE
ISOAMYLPROPIONAT
isoamyl proionate
ISOAMYL PROPANOATE
Isopentylpropanate
Isopentylpropionat
lsoamyl propionate
ISOAMYL PROPIONATE

MDL Number

MFCD00048611

Customs Code

2915509000

FAQ

What regulatory guidelines apply to 3-Methylbutyl propionate (CAS: 105-68-0)?

3-Methylbutyl propionate (CAS: 105-68-0) falls under the regulatory guidelines set by the GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for flammable liquids. It is also subject to the REACH regulations in the EU, which require registration, evaluation, and authorization for substances. In the United States, the EPA and FDA regulate its use and disposal, particularly concerning its effects on the environment and public health.

Are there alternatives to 3-Methylbutyl propionate (CAS: 105-68-0) in synthesis?

Yes, there are alternatives to 3-Methylbutyl propionate (CAS: 105-68-0) in synthesis. Common alternatives include butyl acetate and methyl propionate. These compounds offer similar functionalities but may have different reactivity profiles and can be more environmentally friendly in some cases. The choice of alternative depends on the specific requirements and constraints of the synthesis process.

What is the market or research trend for 3-Methylbutyl propionate (CAS: 105-68-0)?

The market for 3-Methylbutyl propionate (CAS: 105-68-0) has shown steady growth due to its usage in flavor and fragrance industries. Research trends are focusing on its application in biodegradable and sustainable materials. Additionally, there is increasing interest in its role as an industrial solvent and in the development of new synthetic routes to reduce environmental impact.

How should waste containing 3-Methylbutyl propionate (CAS: 105-68-0) be handled?

Waste containing 3-Methylbutyl propionate (CAS: 105-68-0) should be collected in appropriate containers and stored in a well-ventilated area. It should be disposed of via incineration or through a professional waste disposal service that adheres to local regulations. Environmental protection measures include ensuring no leakage into soil or water sources and following all safety guidelines to prevent fires. Safety data sheets and local authorities should be consulted for specific disposal instructions.