Isobutyl 2-methylpropanoate

Basic Information

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CAS Number

97-85-8

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

−81 °C

Boiling Point

145-152 °C

Density

0.855 g/mL at 25 °C

Water Solubility

Soluble in water (1 g/L at 20oc).

Solubility

1g/l

Refractive Index

n20/D 1.398(lit.)

Vapor Pressure

1 mmHg ( 39.9 °C)

SMILES

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CC(C)COC(=O)C(C)C

InChI

InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3

InChIKey

RXGUIWHIADMCFC-UHFFFAOYSA-N

LogP

1.8416000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

106

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Explosive Limit

1.2%(V)

Synonyms & References

English

Isobutyl isobutyrate
FEMA 2189
IBIB
ISOBUTYL 2-METHYLPROPIONATE
2-methyl-propanoicaci2-methylpropylester
2-methylpropanoicacid2-methylpropylester
2-Methylpropyl 2-methylpropionate
2-Methylpropyl isobutyrate
femanumber2189
Isobutyl 2-methylpropanoate
Isobutyl ester of 2-methylpropanoic acid
Isobutylester kyseliny isomaselne
isobutylisobutyrate,[flammableliquid]
2-Methylpropyl 2-methylpropanoate
Isobutyric Acid Isobutyl Ester
Isobutyl isobutanoate
Isobutyric acid, isobutyl ester (6CI, 7CI, 8CI)
2-Methylpropionic acid isobutyl ester
NSC 6538

MDL Number

MFCD00008916

Customs Code

2915600000

FAQ

What is Isobutyl 2-methylpropanoate (CAS: 97-85-8)?

Isobutyl 2-methylpropanoate, also known as isobutyl isovalerate, is a colorless liquid with a fruity odor. It has the chemical formula C8H16O2 and a CAS number of 97-85-8. This compound is characterized by its volatility and stability in various solvents.

What are the main uses of Isobutyl 2-methylpropanoate (CAS: 97-85-8)?

Isobutyl 2-methylpropanoate is primarily used as a fragrance ingredient in the perfume and cosmetics industry. It is also utilized in the pharmaceutical industry as a intermediate in drug synthesis and in the food industry as a flavoring agent. Additionally, it is used in research as an organic solvent and in the production of certain polymers.

Is Isobutyl 2-methylpropanoate (CAS: 97-85-8) safe?

Isobutyl 2-methylpropanoate is generally considered safe when used appropriately. However, it should be handled with care as it is flammable and may cause skin and eye irritation. Protective measures include wearing gloves, goggles, and protective clothing. Inhalation of the vapor should be avoided.

How should Isobutyl 2-methylpropanoate (CAS: 97-85-8) be stored?

Isobutyl 2-methylpropanoate should be stored in a cool, dry place away from direct sunlight and sources of ignition. The container should be tightly sealed and stored in a well-ventilated area. It is recommended to store it at temperatures below 32°C to prevent degradation and ensure safety.