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Allyl heptanoate

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Allyl heptanoate Basic information
Allyl heptanoate Chemical Properties
Safety Information
  • Hazard Codes Xn
  • Risk Statements 21/22-20/21/22
  • Safety Statements 36/37
  • RIDADR UN 2810 6.1/PG 3
  • WGK Germany 3
  • RTECS MJ1750000
  • TSCA Yes
  • HazardClass 6.1
  • PackingGroup III
  • HS Code 29159000
MSDS
Allyl heptanoate Usage And Synthesis
  • Chemical Properties2-Propenyl Heptanoate has been found in, for example, wild edible mushrooms. It is used in perfume compositions for apple-like (pineapple) notes.
  • Chemical PropertiesA liquid with characteristic wine odor and a slight banana note and banana-like flavor
  • Chemical PropertiesCLEAR COLOURLESS LIQUID
  • OccurrenceHas apparently not been reported to occur in nature.
  • PreparationBy direct esterijication of allyl alcohol with heptanoic acid under azeotropic conditions, or by any other suitable means.
  • Taste threshold valuesTaste characteristics at 10 ppm: fruity, pineapple-like with waxy tropical nuance
  • Toxicity evaluationThe acute oral LD50 values in rats, mice and guinea-pigs were reported as 500, 630 and 444 mg/kg, respectively (Hagan, Jenner, Jones, Fitzhugh, Long, Brouwer & Webb, 1965). The acute dermal LD50 value in rabbits was reported as 0.81 g/kg .(0.44-1.18 g/kg) (Moreno, 1974). Administration of 165 mg/kg by stomach tube daily for 4 days caused death in one of the six rats. Macroscopic liver lesions were observed in all animals; the livers were yellow in colour and approximately half of the hepatic tissue was necrotic(Taylor, Jenner & Jones, 1964).
  • Safety ProfileModerately toxic by ingestion and skin contact. A human skin irritant. See also ALL= COMPOUNDS and ESTERS. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
  • MetabolismThe hydrolysis of ester linkages in foreign compounds may be catalysed by many different esterases; most of these have a low degree of substrate specificity and they are to be found in all animals and bacteria(Parke, 1968). In the rat, allyl acetate and allyl alcohol are metabolized to 3-hydroxypropylmercapturic acid, which is excreted in the urine(Clapp, Kaye & Young, 1969). Heptanoic acid, like other odd-carbon fatty acids, is converted to glycogen with little or no formation of ketone bodies. The mechanism probably involves β-oxidation with formation of two acetic acid molecules plus one propionic acid molecule(Deuel, 1957).
Allyl heptanoate Preparation Products And Raw materials
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