ISOPROPYL BUTYRATE

ISOPROPYL BUTYRATE Basic information
Product Name:ISOPROPYL BUTYRATE
Synonyms:PROPYL ISO, BUTANOATE;N-BUTYRIC ACID ISOPROPYL ESTER;2-propyl butanoate;butanoicacid,1-methylethylester;Isopropyl butanoate;n-C3H7C(O)OCH(CH3)2;ISOPROPYL BUTYRATE;ISOPROPYL N-BUTYRATE
CAS:638-11-9
MF:C7H14O2
MW:130.18
EINECS:211-320-7
Product Categories:C6 to C7;Carbonyl Compounds;Organics;Alphabetical Listings;Flavors and Fragrances;Esters;I-L
Mol File:638-11-9.mol
ISOPROPYL BUTYRATE Structure
ISOPROPYL BUTYRATE Chemical Properties
Melting point -95.2°C (estimate)
Boiling point 130-131 °C(lit.)
density 0.859 g/mL at 25 °C(lit.)
vapor pressure 6 mm Hg ( 20 °C)
refractive index n20/D 1.393(lit.)
FEMA 2935 | ISOPROPYL BUTYRATE
Fp 86 °F
storage temp. Store below +30°C.
form clear liquid
color Colorless to Almost colorless
Odorat 100.00 %. sweet fruity estery ether pineapple ripe
Odor Threshold0.0062ppm
Odor Typefruity
Water Solubility 1.56g/L(temperature not stated)
JECFA Number307
LogP2.12
CAS DataBase Reference638-11-9(CAS DataBase Reference)
EPA Substance Registry SystemButanoic acid, 1-methylethyl ester (638-11-9)
Safety Information
Hazard Codes Xi
Risk Statements 10-36/37/38
Safety Statements 16-26-36
RIDADR UN 2405 3/PG 3
WGK Germany 3
HazardClass 3.2
PackingGroup III
HS Code 29156000
MSDS Information
ProviderLanguage
SigmaAldrich English
ISOPROPYL BUTYRATE Usage And Synthesis
DescriptionIsopropyl butyrate has a pleasant odor reminiscent of butyric acid. May be synthesized from butyric acid and propylene in presence of concentrated H2S04 at 125°C in sealed tube; also from butyric acid and isopropyl alcohol in the presence of HCL or p-toluenesulfonic acid.
Chemical PropertiesIsopropyl butyrate has a pleasant odor reminiscent of butyric acid.
Chemical PropertiesColorless liquid.
OccurrenceReported found in strawberry, cranberry, kumquat peel oil, apricot, papaya, blue cheeses, sparkling wine, passion fruit and spineless monkey orange
UsesSolvent for cellulose ethers, flavoring.
UsesIsopropyl butyrate was used as intravaginal taggant in the study of "breath test" for vaginal gel use.
DefinitionChEBI: Isopropyl butyrate is a fatty acid ester and an isopropyl ester.
PreparationFrom butyric acid and propylene in presence of concentrated H2SO4 at 125°C in sealed tube; also from butyric acid and isopropyl alcohol in the presence of HCl or p-toluenesulfonic acid
Aroma threshold valuesDetection: 43 to 86 ppb
Taste threshold valuesTaste characteristics at 30 ppm: sweet, fruity, estry, green and ripe
General DescriptionA colorless liquid. Flash point near 30°F. Boiling point near 280°F. Less dense than water. Vapors heavier than air. Used as a solvent and to make flavorings.
Air & Water ReactionsHighly flammable. Soluble in water.
Reactivity ProfileISOPROPYL BUTYRATE 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 20 ppm
ISOPROPYL BUTYRATE Preparation Products And Raw materials
Raw materialsp-Toluenesulfonic acid
Preparation Products2-Iodopropane-->Isopropyl acetate-->(R)-(-)-1-INDANOL
tert-Butyl acetoacetate Isopropyl palmitate ISOPROPYL BUTYRATE Cholesteryl caprylate Cholesteryl linoleate CHOLESTEROL HYDROCINNAMATE (1R)-(+)-CAMPHANIC ACID (+)-CAMPHANIC ACID CHLORIDE Tributyrin Diisopropyl D-tartrate VALINOMYCIN CHOLESTERYL HEPTANOATE Bucladesine sodium Actinomycin D TRIPALMITIN Cholesteryl pelargonate CHOLESTERYL STEARATE Isopropyl myristate

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