Propyl butyrate

Propyl butyrate Basic information
Product Name:Propyl butyrate
Synonyms:1-propylbutanoate;1-propylbutyrate;Butanoicacid,propylester;Butyricaidpropylester;n-Butyric acdi n-propyl ester;PROPYL BUTYRATE 98+%;PROPYL BUTYRATE 95+% NATURAL;N-BUTYRIC ACID N-PROPYL ESTER 98+%
CAS:105-66-8
MF:C7H14O2
MW:130.18
EINECS:203-320-0
Product Categories:
Mol File:105-66-8.mol
Propyl butyrate Structure
Propyl butyrate Chemical Properties
Melting point 95°C
Boiling point 142-143 °C (lit.)
density 0.873 g/mL at 25 °C (lit.)
FEMA 2934 | PROPYL BUTYRATE
refractive index n20/D 1.4(lit.)
Fp 102 °F
storage temp. Flammables area
form clear liquid
color Colorless to Almost colorless
Odorat 100.00 %. fruity sweet apricot pineapple rancid sweaty
Odor Threshold0.011ppm
Odor Typefruity
Water Solubility 1.614g/L(17 ºC)
Merck 14,7846
JECFA Number150
BRN 1745552
LogP2.30
CAS DataBase Reference105-66-8(CAS DataBase Reference)
NIST Chemistry ReferenceButanoic acid, propyl ester(105-66-8)
EPA Substance Registry SystemButanoic acid, propyl ester (105-66-8)
Safety Information
Hazard Codes Xi
Risk Statements 10-36/37/38
Safety Statements 16-26-36
RIDADR UN 3272 3/PG 3
WGK Germany 2
RTECS ET6200000
HazardClass 3.2
PackingGroup III
HS Code 29156000
ToxicityLD50 orally in rats: 15,000 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964)
MSDS Information
ProviderLanguage
SigmaAldrich English
Propyl butyrate Usage And Synthesis
Chemical PropertiesClear colorless liquid
Chemical PropertiesPropyl butyrate has a pineapple and apricot-like odor with a sweet, fruity flavor of banana and pineapple. The odor is also described as sharp, pungent, rancid, sweaty and sickening.
OccurrenceReported found in fresh apple, cooked apple, apricot, banana, lemon papaya, Camembert cheese, Gruyere de Comte cheese, provolone cheese, purple passion fruit juice, apple juice, rum, fresh plums, jack fruit, ceriman or pinanona (Monstera deliciosa Liebm.), papaya, spineless monkey orange, starfruit, kiwifruit, wood apple and cherimoya.
UsesSolvent mixture for cellulose ethers.
PreparationFrom propyl alcohol and butyric acid in the presence of p-toluenesulfonic acid in benzene solution at the boil.
DefinitionChEBI: Propyl butyrate is a butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid. It has a role as a human metabolite, a plant metabolite and an insect attractant. It is functionally related to a propan-1-ol.
Aroma threshold valuesDetection: 0.8 to 124 ppb
Taste threshold valuesTaste characteristics at 20 ppm: sweet, fruity, tutti-frutti, bubble gum and pineapple-like, with a slight green nuance.
Synthesis Reference(s)The Journal of Organic Chemistry, 58, p. 6421, 1993 DOI: 10.1021/jo00075a043
General DescriptionNatural Occurrence: Apple, banana, kiwi, melon, papaya, passion fruit, rum and strawberry.
HazardIrritant to mucous membranes, narcotic in high concentration.
Biochem/physiol ActionsTaste at 20 ppm
Propyl butyrate Preparation Products And Raw materials
Raw materialsPEROXYBUTYRICACID-->FEMA 2368-->Vinyl butyrate-->4-Heptanone-->Butyric anhydride
Preparation Products1,2-Dimethoxypropane-->N-(4-BROMOPHENYL)BUTANAMIDE
Cholesteryl oleate Span 60 Span 20 4-Aminobutyric acid Cholesteryl caprylate RUBRATOXIN B Ascorbyl Palmitate CHOLESTEROL HYDROCINNAMATE (1R)-(+)-CAMPHANIC ACID Heptafluorobutyric anhydride cis-1,2,3,6-Tetrahydrophthalic anhydride Cyclobutane-1,2,3,4-tetracarboxylic dianhydride Isopropyl acetate VALINOMYCIN CHOLESTERYL HEPTANOATE Bucladesine sodium Actinomycin D Isopropyl alcohol

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