Isoamyl benzoate

Isoamyl benzoate Basic information
Product Name:Isoamyl benzoate
Synonyms:Isopentyl alcohol, benzoate;isopentylalcohol,benzoate;so-Amyl benzoate;3-methylbutylbenzoate;Benzoic acid, 1-(3-methyl)butyl ester;Benzoic acid, 3-methylbutyl ester;benzoicacid,1-(3-methyl)butylester;benzoicacid3-methylbutylester
CAS:94-46-2
MF:C12H16O2
MW:192.25
EINECS:202-334-4
Product Categories:Alphabetical Listings;Flavors and Fragrances;I-L
Mol File:94-46-2.mol
Isoamyl benzoate Structure
Isoamyl benzoate Chemical Properties
Boiling point 261-262 °C (lit.)
density 0.99 g/mL at 25 °C (lit.)
vapor pressure 1hPa at 66℃
FEMA 2058 | ISOAMYL BENZOATE
refractive index n20/D 1.494(lit.)
Fp >230 °F
storage temp. Store below +30°C.
Water Solubility Insoluble in water
form clear liquid
color Colorless
Odorat 100.00 %. sweet balsamic green waxy
Odor Typebalsamic
Merck 14,5113
JECFA Number857
LogP4.272 at 25℃
CAS DataBase Reference94-46-2(CAS DataBase Reference)
NIST Chemistry Reference1-Butanol, 3-methyl-, benzoate(94-46-2)
EPA Substance Registry System1-Butanol, 3-methyl-, benzoate (94-46-2)
Safety Information
WGK Germany 2
RTECS DH3078000
HS Code 2916.31.5000
toxicityThe acute oral LD50 value was reported as 6.33 g/kg in the rat . The acute dermal LD50 for sample no. 71-24 was reported to be > 5 g/kg in the rabbit
MSDS Information
ProviderLanguage
SigmaAldrich English
Isoamyl benzoate Usage And Synthesis
DescriptionIsoamyl benzoate has a fruity, slightly pungent odor. May be prepared by transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzoyl chloride and isoamyl acetate.
Chemical PropertiesColorless liquid; fruity odor. Insoluble in water; soluble in alcohol. Combustible.
Chemical PropertiesIsoamyl benzoate has a mild, sweet, fruit-like odor
OccurrenceReported found in vinegar, cocoa, sweet cherry, papaya, beer, quince, litchi, cherimoya, sea buckthorn (Hippophae rhamnoides L.) and jackfruit (Artocarpus heterophyllus Larn.)
UsesIn perfumery and cosmetics.
DefinitionChEBI: 3-Methylbutyl benzoate is a benzoate ester.
PreparationBy transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating benzyl chloride and isoamyl acetate.
Taste threshold valuesTaste characteristics at 25 ppm: sweet, fruity with a green tropical nuance.
MetabolismBenzoic acid is metabolized in the mammalian body after conjugation with glycine to form hippuric acid and benzoylglucuronic acid, which are excreted in the urine(Williams, 1959).
Isoamyl benzoate Preparation Products And Raw materials
Raw materials3-Methyl-1-butanol-->Benzoic acid
4-HYDROXYBENZOIC ACID ISOAMYL ESTER Isoamyl butyrate Padimate 4-(4-NITROBENZOYLOXY)-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY Androstanolone 17-benzoate MONO-(1S)-(+)-MENTHYL PHTHALATE DIHYDROABIETYL PHTHALATE ISOAMYL SALICYLATE MENTHYL SALICYLATE PHORBOL 12,13-DIBENZOATE CATALPIN Menthyl anthranilate GALLIC ACID ISOAMYL ESTER Isoamyl benzoate 17beta-hydroxyandrosta-1,4-dien-3-one benzoate Isoamyl o-hydroxybenzoate CITRONELLYL ANTHRANILATE Isoamyl propionate

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