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HomeProduct name listIsobutyl isobutyrate

Isobutyl isobutyrate

Synonym(s):2-Methylpropyl 2-methylpropanoate

  • CAS NO.:97-85-8
  • Empirical Formula: C8H16O2
  • Molecular Weight: 144.21
  • MDL number: MFCD00008916
  • EINECS: 202-612-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-24 21:11:45
Isobutyl isobutyrate Structural

What is Isobutyl isobutyrate?

Description

Isobutyl isobutyrate has an odor and taste reminiscent of pineapple. 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.

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.

The Uses of Isobutyl isobutyrate

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).

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.

Definition

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

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.

Properties of Isobutyl isobutyrate

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  1g/l
form  Liquid
color  Clear
PH 7 (H2O)
Odor Sweet-fruity, but also rather harsh-Pine-apple-like, diffusive-ethereal odor.
Odor Threshold 0.075ppm
explosive limit 1.2%(V)
Water Solubility  Soluble in water (1 g/L at 20oc).
Merck  14,5145
JECFA Number 194
BRN  1701355
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 for Isobutyl isobutyrate

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P370+P378:In case of fire: Use … for extinction.

Computed Descriptors for Isobutyl isobutyrate

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