OCTYL ISOBUTYRATE

OCTYL ISOBUTYRATE Basic information
Product Name:OCTYL ISOBUTYRATE
Synonyms:OCLyl Isobutyrate;N-OCTYL 2-METHYLPROPANOATE;N OCTYL ISOBUTYRATE;OCTYL ISOBUTYRATE;OCTYL ISOBUTYRATE 98+% FCC;Octylisobutyrat;Propanoic acid, 2-methyl-, octyl ester、2-methyl-propanoic aci acetyl ester、acetyl 2-methylpropanoate、ent 24265、isobutyric acid, octyl ester、n-octyl isobutyrate、octyl 2-methylpropanoate;CAPRYLYL ISOBUTYRATE
CAS:109-15-9
MF:C12H24O2
MW:200.32
EINECS:203-651-0
Product Categories:Alphabetical Listings;Flavors and Fragrances;O-P
Mol File:109-15-9.mol
OCTYL ISOBUTYRATE Structure
OCTYL ISOBUTYRATE Chemical Properties
Melting point -56°C (estimate)
Boiling point 245 °C(lit.)
density 0.856 g/mL at 25 °C(lit.)
FEMA 2808 | OCTYL ISOBUTYRATE
refractive index n20/D 1.421(lit.)
Fp 206 °F
color A colourless liquid.
Odorat 100.00 %. oily green waxy soapy clean fruity creamy
Odor Typewaxy
JECFA Number192
LogP4.78
EPA Substance Registry SystemPropanoic acid, 2-methyl-, octyl ester (109-15-9)
Safety Information
WGK Germany 2
RTECS UA2466375
toxicityBoth the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 5 g/kg (Levenstein, 1974).
MSDS Information
ProviderLanguage
SigmaAldrich English
OCTYL ISOBUTYRATE Usage And Synthesis
DescriptionOctyl isobutyrate has a fruity, fatty fragrance with a soft and humid undertone reminiscent of parsley and fern root with a sweet flavor suggestive of grape. May be prepared by esterification of n-octanol with isobutyric acid.
Chemical PropertiesOctyl isobutyrate has a fruity, fatty fragrance with a soft and humid undertone reminiscent of parsley and fern root. It has a sweet flavor suggestive of grape.
OccurrenceReported found among the volatile components of hop. Also reported found in grapefruit juice and babaco fruit (Carica pentagona Heilborn).
PreparationEsterification of n-octanol with isobutyric acid.
DefinitionChEBI: Octyl 2-methyl-propionyl is a carboxylic ester.
Aroma threshold valuesDetection: 6 ppb
Taste threshold valuesTaste characteristics at 30 ppm: creamy, waxy, fruity, earthy and fatty.
MetabolismIsobutyrates are hydrolysed to materials that are either normally in the diet or readily converted to such materials (Fassett, 1963a). Isobutyric acid occurs normally in the metabolism of valine, being converted to a propionyl group and entering into the glycogenic process (Fassett, 1963b). π-Octanol is largely oxidized in vivo; about 10% is excreted conjugated with glucuronic acid in rabbits. Isomeric octanols may be more highly conjugated; they may also be oxidized to the ketone or may be excreted unchanged (Williams, 1959).
OCTYL ISOBUTYRATE Preparation Products And Raw materials
Raw materialsIsobutyric acid
Preparation ProductsIsobutyric acid
22(S),23(S)-HOMOBRASSINOLIDE Gibberellic acid Erythromycin thiocyanate 1,2,3,6-TETRAHYDROPHTHALIC ACID DIISODECYL ESTER 4-ANDROSTEN-17-BETA-OL-3-ONE HEXAHYDROBENZOATE OLEANDOMYCIN CHLOROFORM ADDUCT NONACTIN OCTYL ISOBUTYRATE CHOLESTERYL ISO-BUTYRATE Flumethasone 21-pivalate GIBBERELLIC ACID POTASSIUM SALT Lovastatin DIFLUCORTOLONE PIVALATE Erythromycin DI-N-OCTYL 4-CYCLOHEXENE-1,2-DICARBOXYLATE gibberellin A4 methyl ester Simvastatin GIBBERELLIN A9 METHYL ESTER

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