Isobutyl formate

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;I-L;C2 to C5;Carbonyl Compounds;Esters
Mol File:542-55-2.mol
Isobutyl formate Structure
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)
FEMA 2197 | ISOBUTYL FORMATE
refractive index n20/D 1.385(lit.)
Fp 50 °F
storage temp. Flammables area
Water Solubility Soluble in water
form clear liquid
color Colorless to Almost colorless
Odorat 10.00 % in dipropylene glycol. sweet chemical ether fruity
Odor Typechemical
Odor Threshold0.49ppm
explosive limit8.9%
Merck 14,5143
JECFA Number124
InChIKeyAVMSWPWPYJVYKY-UHFFFAOYSA-N
LogP1.23
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 PropertiesCLEAR COLOURLESS TO LIGHT YELLOW LIQUID
Chemical PropertiesIsobutyl formate has a fruity, ether-like odor and a sweet taste reminiscent of rum.
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
DefinitionChEBI: 2-Methylpropyl formate is a carboxylic ester.
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.]
ISOPULEGYL ACETATE DL-ISOCITRIC ACID LACTONE 4-CHLORO-3,5-DINITRO-BENZOIC ACID ISOBUTYL ESTER (-)-DIHYDROCARVYL ACETATE Androstanolone 17-benzoate Phenylacetic acid isobutyl ester Isobutyl formate D-(-)-PANTOLACTONE L-MENTHYL ACETATE CYTOCHALASIN E cis-1,2,3,6-Tetrahydrophthalic anhydride (+)-CAMPHANIC ACID CHLORIDE Isobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate Cyclobutane-1,2,3,4-tetracarboxylic dianhydride 20(22),5BETA-CARDENOLID-3BETA,14BETA,16BETA-TRIOL 3,16-DIACETATE METHYLSUCCINIC ANHYDRIDE 2-PHENYLGLUTARIC ANHYDRIDE Isobutyl 3,5-diamino-4-chloro benzoate

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