Isobutyl isovalerate

Isobutyl isovalerate Basic information
Product Name:Isobutyl isovalerate
Synonyms:Butanoic acid, 3-methyl-, 2-methylpropyl ester;Butanoicacid,3-methyl-,2-methylpropylester;Isobutyl 3-methylpropanoate;ISOVALERIC ACID ISOBUTYL ESTER 98+%;IsoBUTYL-isoVALERATEFCC;Isobutylisovalerat;ISOBUTYL ISOVALERATE, NATURAL;2-Methyl-1-propyl isovalerate
CAS:589-59-3
MF:C9H18O2
MW:158.24
EINECS:209-653-8
Product Categories:C8 to C9;Carbonyl Compounds;Esters
Mol File:589-59-3.mol
Isobutyl isovalerate Structure
Isobutyl isovalerate Chemical Properties
Melting point -92.8°C (estimate)
Boiling point 168 °C
density 0.853 g/mL at 20 °C(lit.)
FEMA 3369 | 2-METHYLPROPYL 3-METHYLBUTYRATE
refractive index n20/D 1.406
Fp 57 °C
storage temp. Sealed in dry,Room Temperature
form clear liquid
color Colorless to Almost colorless
Odorat 100.00 %. sweet fruity apple raspberry green banana
Odor Threshold0.0052ppm
Odor Typefruity
Merck 14,5146
JECFA Number203
LogP3.17
CAS DataBase Reference589-59-3(CAS DataBase Reference)
NIST Chemistry ReferenceIso-butyl isovalerate(589-59-3)
EPA Substance Registry SystemButanoic acid, 3-methyl-, 2-methylpropyl ester (589-59-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26
RIDADR UN 1993C 3 / PGIII
WGK Germany 2
RTECS NY1506000
HazardClass 3
PackingGroup III
HS Code 29156000
MSDS Information
ProviderLanguage
2-Methylpropyl 3-methylbutanoate English
SigmaAldrich English
Isobutyl isovalerate Usage And Synthesis
Description2-Methylpropy 1-3-methylbutyrate has an aroma reminiscent of apple/raspberry. May be prepared by oxidation of the corresponding ketone.
Chemical Properties2-Methylpropyl-3-methylbutyrate has an aroma reminiscent of apple and raspberry
OccurrenceReported found in the oil from fruits of Xanthoxylum piperitum and in the oil of Elsholtzia ciliata. Also reported found in banana, white wine, fig, jackfruit, lamb’s lettuce and smaller galanga (Alpinium officinarum Hance).
UsesFlavoring and manufacture of fruit essences.
PreparationBy oxidation of the corresponding ketone.
DefinitionChEBI: 2-Methylpropyl 3-methylbutanoate is a fatty acid ester.
Taste threshold valuesTaste characteristics at 20 ppm: sweet, green, fruity, banana with fresh nuances.
Isobutyl isovalerate Preparation Products And Raw materials
3-Methylbutyl 3-methylbutanoate Isovaleric acid Isobutyl nitrite RORIDIN A 22(S),23(S)-HOMOBRASSINOLIDE Isobutyl isovalerate Bornyl isovalerate Tributyl citrate 3,4-EPOXY-6-METHYLCYCLOHEXYLMETHYL-3,4-EPOXY-6-METHYLCYCLOHEXANECARBOXYLATE (1R,3S)-(-)-CAMPHORIC ANHYDRIDE Butyl stearate Butyl acrylate resin MUCONOMYCIN A 2,2-Bis(hydroxymethyl)butyric acid PLATYPHYLLINE BITARTRATE BIS(2-ETHYLHEXYL)HEXAHYDRO PHTHALATE Triisobutyl phosphate Propyl butyrate

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