Isobutyl isobutyrate Chemical Properties

Melting point:

-81 °C (lit.)

Boiling point:

145-152 °C (lit.)

Density 

0.855 g/mL at 25 °C (lit.)

vapor pressure 

1 mm Hg ( 39.9 °C)

refractive index 

n20/D 1.398(lit.)

FEMA 

2189 | ISOBUTYL ISOBUTYRATE

Flash point:

99 °F

storage temp. 

Flammables area

solubility 

Insoluble in water, miscible with alcohol and oils.

form 

Liquid

color 

Clear

PH

7 (H2O)

Odor

Sweet-fruity, but also rather harsh-Pine-apple-like, diffusive-ethereal odor.

Odor Threshold

0.075ppm

Odor Type

fruity

explosive limit

1.2%(V)

Water Solubility 

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

Merck 

14,5145

JECFA Number

194

BRN 

1701355

LogP

3.17 at 20℃

CAS DataBase Reference

97-85-8(CAS DataBase Reference)

NIST Chemistry Reference

Propanoic acid, 2-methyl-, 2-methylpropyl ester(97-85-8)

EPA Substance Registry System

Isobutyl isobutyrate (97-85-8)

Safety Information

Hazard Codes 

Xi

Risk Statements 

10-36/37/38

Safety Statements 

16-26-36

RIDADR 

UN 2528 3/PG 3

WGK Germany 

2

RTECS 

NQ5250000

Autoignition Temperature

810 °F

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29159000

Hazardous Substances Data

97-85-8(Hazardous Substances Data)

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Isobutyl isobutyrate Usage And Synthesis

Description

Isobutyl isobutyrate has an odor and taste reminiscent of pineapple. It is used as a flavoring agent, insect repellent, and a substitute for methyl amyl acetate in nitrocellulose lacquers and thinners.

Chemical Properties

The liquid is colorless to light yellow. It has the aroma of pineapple, grape skin, and ether. Its boiling point is 147-148°C, and its flash point is 37°C. It can dissolve in most organic solvents but is not soluble in water. It is found naturally in wine, olives, bananas, melons, strawberries, grapes, beer flower oil, white wine, quince, etc.

Occurrence

Reported found in the essential oil of hops, grapes, apricot, banana, melon, strawberry, cider, passion fruit wine, sherry, grape wines, whiskey, olive, quince, plum wine, laurel, myrtle leaf and berry, Chinese quince and Roman chamomile oil.

Uses

Isobutyl isobutyrate is used principally as a solvent, especially for nitrocellulose lacquers and thinners as well as coatings for plastic substrates, and high-solids coatings. The majority of end uses are in coatings (automotive, industrial, wood furniture, and graphic arts).

Definition

ChEBI: 2-Methylpropyl 2-methylpropionate is a carboxylic ester.

Preparation

The compound may be synthesized by catalytic reaction passing vapors of isobutyl alcohol over CuO + Al2O3, ZnO + Al2O3, or CuO + ZnO + Al2O3 at 350 - 400°C under pressure.

Aroma threshold values

Detection: 36 ppb to 4.37 ppm; aroma characteristics at 1.0%: sweet, estry and fruity, winey, plum, apple and banana-like

General Description

Isobutyl isobutyrate appears as a colorless liquid with a pleasant fruity odor. Moderately toxic by inhalation. Insoluble in water and floats on water, but soluble in alcohol and ethers. It is used as a flavoring and in the manufacture of insecticides.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Isobutyl isobutyrate, [FLAMMABLE LIQUID] reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.

Hazard

Toxic by inhalation.

Health Hazard

Exposure can cause irritation of eyes, nose and throat. Toxic by inhalation.

Isobutyl isobutyrate(97-85-8)Related Product Information

• TITANIUM ISOBUTOXIDE
• Phenylacetic acid isobutyl ester
• Triisobutyl phosphate
• tert-Butyl 2-bromo-2-methylpropanoate
• Methyl 2-bromo-2-methylpropionate
• OCTYL ISOBUTYRATE
• Isobutyric acid
• Diisobutyl phthalate
• isobutyl oleate
• Isobutyl acetate
• Isobutyl cinnamate
• Isobutyl acrylate
• Sucrose acetate isobutyrate
• Isobutyl stearate
• Isobutyric anhydride
• Methyl isobutyrate
• Maltol isobutyrate
• Ethyl isobutyrate