Methyl isobutyrate

Methyl isobutyrate Basic information
Product Name:Methyl isobutyrate
Synonyms:Propanoicacid,2-methyl-,methylester;METHYL ISOBUTYRATE 99+%;Methyl #niso-butyrate;(CH3)2CHC(O)OCH3;2-methylpropanoicacidmethylester;2-methyl-propanoicacidmethylester;2-methyl-propanoicacimethylester;Methyl isobutanoate
CAS:547-63-7
MF:C5H10O2
MW:102.13
EINECS:208-929-5
Product Categories:Alphabetical Listings;Flavors and Fragrances;M-N;C2 to C5;Carbonyl Compounds;Esters
Mol File:547-63-7.mol
Methyl isobutyrate Structure
Methyl isobutyrate Chemical Properties
Melting point -85--84 °C
Boiling point 90 °C (lit.)
density 0.891 g/mL at 25 °C (lit.)
refractive index n20/D 1.384(lit.)
FEMA 2694 | METHYL ISOBUTYRATE
Fp 38 °F
storage temp. Flammables area
solubility alcohol: miscible
form Liquid
color Clear colorless
Odorat 10.00 % in dipropylene glycol. fruity floral apple pineapple
Odor Typefruity
Odor Threshold0.0019ppm
Water Solubility slightly soluble
Merck 14,6088
JECFA Number185
BRN 1740720
LogP1.06
CAS DataBase Reference547-63-7(CAS DataBase Reference)
NIST Chemistry ReferencePropanoic acid, 2-methyl-, methyl ester(547-63-7)
EPA Substance Registry SystemPropanoic acid, 2-methyl-, methyl ester (547-63-7)
Safety Information
Hazard Codes F,Xi,Xn
Risk Statements 11-36/37/38-20-2017/11/20
Safety Statements 16-37/39-26-24/25
RIDADR UN 1237 3/PG 2
WGK Germany 3
RTECS NQ5425000
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 29156000
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
Methyl isobutyrate Usage And Synthesis
Chemical Propertiesmethyl isobutyrate is a clear colourless liquid that has a fruity (apple–pineapple) odor and a sweet flavor reminiscent of apricot. soluble in water, miscible in common organic solvents. flammable. natural products exist in strawberries etc.
OccurrenceReported found in Russian champagnes and among the volatile components of strawberry juice. Also reported found in apple juice, banana, kumquat peel oil, blueberry, melon, papaya, pineapple, strawberry, fried potato, starfruit, dill herb, cherimoya, kiwifruit, loquat, naranjilla fruit and cape gooseberry.
UsesMethyl isobutyrate is used as a flavoring agent. It was used as diluent in forced Rayleigh scattering studies to measure diffusion coefficients for a ternary system comprising camphorquinone in poly(methyl methacrylate).
DefinitionChEBI: Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It derives from an isobutyric acid.
ApplicationMethyl isobutyrate can be used as a solvent, organic synthesis, standard for gas chromatography. radiofrequency-induced plasmas of methyl isobutyrate has been studied using mass spectrometry.
PreparationMethyl isobutyrate can be synthesized by direct esterification of methanol with isobutyric acid.
Taste threshold valuesTaste characteristics at 35 ppm: sweet, ethereal, fruity and juicy fruit
General DescriptionRadiofrequency-induced plasmas of methyl isobutyrate has been studied using mass spectrometry.
CarcinogenicityNot listed by ACGIH, California Proposition 65, IARC, NTP, or OSHA.
Methyl 4-chloro-3-hydroxybutyrate Methyl 2-bromo-2-methylpropionate [4-(1,1-dimethylethyl)cyclohexyl]methyl isobutyrate Methyl METHYL BETA-(DIMETHYLAMINO)ISOBUTYRATE 2-Bromobutyric acid methyl ester CHLOROMETHYL PIVALATE METHYL O-METHYLPODOCARPATE Sucrose acetate isobutyrate 2,2'-Azobis(methyl isobutyrate) (octahydro-4,7-methano-1H-inden-5-yl)methyl isobutyrate [octahydro-4,7-methano-1H-inden-1(or 2)-yl]methyl isobutyrate METHYL ISOBUTYRATE, (ISOBUTYRIC ACID METHYL ESTER) (S)-(-)-3-BROMOISOBUTYRIC ACID METHYL ESTER METHYL (R)-(+)-3-BROMO-2-METHYLPROPIONATE FATTY ACID METHYL ESTER MIX C8-C22 (R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER METHYL THIOPHENE-2-CARBOXYLATE

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