Isobutyl isobutyrate

Isobutyl isobutyrate
  • CAS No.:97-85-8
Other grades of this product :
Isobutyl isobutyrate Basic information
Product Name:Isobutyl isobutyrate
Synonyms:2-methylpropylisobutyrate;femanumber2189;Isobutyl 2-methylpropanoate;Isobutyl ester of 2-methylpropanoic acid;Isobutyl2-methylpropanoate;Isobutylester kyseliny isomaselne;isobutylesterkyselinyisomaselne;isobutylisobutyrate,[flammableliquid]
CAS:97-85-8
MF:C8H16O2
MW:144.21
EINECS:202-612-5
Product Categories:other auxiliery agent;C8 to C9;Alphabetical Listings;Flavors and Fragrances;Carbonyl Compounds;Esters;I-L
Mol File:97-85-8.mol
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
Fp 99 °F
storage temp. Flammables area
solubility 1g/l
form Liquid
color Clear
PH7 (H2O)
explosive limit1.2%(V)
Odor Threshold0.075ppm
Water Solubility Soluble in water (1 g/L at 20oc).
Merck 14,5145
JECFA Number194
BRN 1701355
LogP3.17 at 20℃
CAS DataBase Reference97-85-8(CAS DataBase Reference)
NIST Chemistry ReferencePropanoic acid, 2-methyl-, 2-methylpropyl ester(97-85-8)
EPA Substance Registry SystemIsobutyl 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 Temperature810 °F
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29159000
Hazardous Substances Data97-85-8(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Isobutyl isobutyrate Usage And Synthesis
DescriptionIsobutyl 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 PropertiesIsobutyl isobutyrate has an odor and taste reminiscent of pineapple.
Chemical PropertiesCLEAR LIQUID
OccurrenceReported 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.
UsesIsobutyl 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).
UsesFlavoring, insect repellent, nitrocellulose lacquers and thinners, substitute for methyl amyl acetate.
PreparationBy catalytic reaction passing vapors of isobutyl alcohol over CuO + Al2O3, ZnO + Al2O3, or CuO + ZnO + Al2O3 at 350 to 400°C under pressure
Aroma threshold valuesDetection: 36 ppb to 4.37 ppm; aroma characteristics at 1.0%: sweet, estry and fruity, winey, plum, apple and banana-like
General DescriptionA colorless liquid with a pleasant fruity odor. Moderately toxic by inhalation. Insoluble in water and floats on water, but soluble in alcohol and ethers. Isobutyl isobutyrate is used as a flavoring and in the manufacture of insecticides.
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity ProfileIsobutyl 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.
HazardToxic by inhalation.
Health HazardExposure can cause irritation of eyes, nose and throat. Toxic by inhalation.

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