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Benzyl isobutyrate

Benzyl isobutyrate Basic information
Product Name:Benzyl isobutyrate
Synonyms:Benzyl isobutanoate;BENZYL ISOBUTYRATE;Benzylisobutyrat;Benzyl isobutyrate, 98+%;BENZYL ISOBUTYRATE, NATURAL;BENZYL ISOBUTYRATE 97+% FCC;1-(Benzyloxy)-2-methylpropanal;2-Methylpropanoic acid benzyl ester
CAS:103-28-6
MF:C11H14O2
MW:178.23
EINECS:203-095-9
Product Categories:A-B;Alphabetical Listings;Flavors and Fragrances
Mol File:103-28-6.mol
Benzyl isobutyrate Structure
Benzyl isobutyrate Chemical Properties
Boiling point 238 °C(lit.)
density 1.003 g/mL at 25 °C(lit.)
vapor pressure 5.7Pa at 25℃
refractive index n20/D 1.49(lit.)
FEMA 2141 | BENZYL ISOBUTYRATE
Fp 138 °F
form clear liquid
color Colorless to Almost colorless
Odorat 100.00 %. jasmin oily fruity sweet rose tropical
Odor Typefloral
Water Solubility 989.48mg/L at 25℃
JECFA Number844
BRN 1869299
LogP2.99 at 25℃
CAS DataBase Reference103-28-6(CAS DataBase Reference)
NIST Chemistry ReferencePropanoic acid, 2-methyl-, phenylmethyl ester(103-28-6)
EPA Substance Registry SystemPropanoic acid, 2-methyl-, phenylmethyl ester (103-28-6)
Safety Information
Risk Statements 10
Safety Statements 16-24/25
RIDADR UN 3272 3/PG 3
WGK Germany 1
RTECS NQ4550000
TSCA Yes
HS Code 29156000
toxicityThe acute oral LD50 in rats was found to be 2850 mg/kg. The acute dermal LD50 was reported to be > 5 ml/kg in the rabbit
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
Benzyl isobutyrate Usage And Synthesis
Chemical PropertiesBenzyl isobutyrate has a fresh, floral, somewhat jasmine-like, fruity odor and sweet, strawberry-like taste.
OccurrenceReported found in mint, spearmint, beer, cherimoya (Annona cherimolia Mill.) and Passiflora edulis hybrid juice.
PreparationMay be prepared from benzyl alcohol and isobutyric acid, by the action of aluminum ethylate on a mixture of benzyl and butyric aldehydes.
DefinitionChEBI: Phenylmethyl 2-methylpropanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Taste threshold valuesTaste characteristics at 10 ppm: fruity and sweet with ripe berry nuances.
Synthesis Reference(s)Synthesis, p. 1017, 1986 DOI: 10.1055/s-1986-31855
Flammability and ExplosibilityNonflammable
Benzyl isobutyrate Preparation Products And Raw materials
Raw materialsBenzyl alcohol-->Isobutyric acid-->Butyraldehyde
Preparation ProductsIsobutyric acid-->Isobutyl isobutyrate
3-PHENYLPROPYL ISOBUTYRATE ISOBUTYRIC ACID POTASSIUM SALT 4,4,7,9-TETRAMETHYL-1,3,4,5-TETRAHYDRO-2-BENZOXEPINE-1,3-DIONE Benzyl isocyanate PHENYLMALONIC ACID MONOBENZYL ESTER 2,2-Bis(hydroxymethyl)propionic acid Methylprednisolone aceponate RETINYL PROPIONATE Dilauryl thiodipropionate Isopropyl-α-[2-methylhydrazino]-p-toluamide SUPERCYPERMETHRIN Fenvalerate BENZYL ISOBUTYRATE (ISOBUTYRIC ACID BENZYL ESTER) Benzyl propionate Benzyl formate Benzyl Propylene glycol methyl ether propionate METHYL PHENYL CARBINYL-ISO-BUTYRATE
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