Isobutyl formate

Isobutyl formate
  • CAS No.:542-55-2

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  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Isobutyl formate Basic information
Product Name:Isobutyl formate
Synonyms:2-Methyl-1-propyl formate;2-methyl-1-propylformate;ISOBUTYL FORMATE;Iso-butyl methanoate;FEMA 2197;FORMIC ACID ISOBUTYL ESTER;2-METHYLPROPYL FORMATE;2-methylpropyl ester
CAS:542-55-2
MF:C5H10O2
MW:102.13
EINECS:208-818-1
Product Categories:Alphabetical Listings;Flavors and Fragrances;C2 to C5;Carbonyl Compounds;Esters;I-L
Mol File:542-55-2.mol
Isobutyl formate Chemical Properties
Melting point -96 °C
Boiling point 98.4 °C (lit.)
density 0.885 g/mL at 25 °C (lit.)
vapor density 3.52 (vs air)
refractive index n20/D 1.385(lit.)
FEMA 2197 | ISOBUTYL FORMATE
Fp 50 °F
storage temp. Flammables area
Water Solubility Soluble in water
form clear liquid
color Colorless to Almost colorless
explosive limit8.9%
Odor Threshold0.49ppm
Merck 14,5143
JECFA Number124
InChIKeyAVMSWPWPYJVYKY-UHFFFAOYSA-N
CAS DataBase Reference542-55-2(CAS DataBase Reference)
EPA Substance Registry SystemFormic acid, 2-methylpropyl ester (542-55-2)
Safety Information
Hazard Codes F,C,Xi
Risk Statements 11-34-36/37
Safety Statements 16-26-33-36/37/39-45-24-9
RIDADR UN 2393 3/PG 2
WGK Germany 2
RTECS LQ8650000
Autoignition Temperature608 °F
HazardClass 3.1
PackingGroup II
HS Code 29151300
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
Isobutyl formate Usage And Synthesis
DescriptionIsobutyl formate has a fruity, ether-like odor and a sweet taste reminiscent of rum. Isobutyl formate may be prepared from isobutyl alcohol and carbon monoxide in the presence of sodium isobutylate at 110°C and 400 atm.
Chemical PropertiesIsobutyl formate has a fruity, ether-like odor and a sweet taste reminiscent of rum.
Chemical PropertiesCLEAR COLOURLESS TO LIGHT YELLOW LIQUID
OccurrenceReported found in pineapple, apple, vinegar, wheat bread, beer, cognac and rum.
UsesIsobutyl Formate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. storage should be in glass or tin containers. it is used in fruit flavors such as pear, raspberry, and other berry flavors with applications in beverages, ice cream, candy, and baked goods at 2–18 ppm.
PreparationFrom isobutyl alcohol and carbon monoxide in the presence of sodium isobutylate at 110°C and 400 atm
Taste threshold valuesTaste characteristics at 10 ppm: slightly sweet, fresh, gives lift, fruity
General DescriptionA colorless liquid. Less dense than water. Flash point 60°F. Vapors heavier than air. Vapors may be narcotic and irritating in high concentrations. Used as a solvent and to make perfumes.
Air & Water ReactionsHighly flammable. Soluble in water.
Reactivity ProfileIsobutyl formate is an ester. Esters react 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 of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Health HazardMay cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Biochem/physiol ActionsTaste at 10 ppm
Purification MethodsWash the formate with saturated aqueous NaHCO3, in the presence of saturated NaCl solution until no further reaction occurs, then with saturated aqueous NaCl, dry (MgSO4) and fractionally distil it. [Beilstein 2 H 21, 2 I 18, 2 II 30, 2 III 41, 2 IV 29.]

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