?? ??????
|
|
?? ?????? ??
- ???
- -66 °C
- ?? ?
- 210 °C
- ??
- 0.885 g/mL at 25 °C(lit.)
- ???
- 30.3Pa at 25℃
- ???
- n
20/D 1.428(lit.)
- ???
- 180 °F
- ?? ??
- under inert gas (nitrogen or Argon) at 2-8°C
- ???
- ???? ???
- ??? ??
- ??? ??
- ??
- ??? ??.
- ??
- 100.00%??. ??? ???? ?? ?? ??? ?? ??
- ?? ??
- ?? ??
- ???? ??
- synthetic
- ???
- ???
- JECFA Number
- 4
- BRN
- 8544440
- ?? ??
- ?? ? ?
- ??? ?? ??
- ??
- InChI
- 1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
- InChIKey
- SJWKGDGUQTWDRV-UHFFFAOYSA-N
- SMILES
- CCCCCCC(=O)OCC=C
- LogP
- 3.97 at 20℃
- CAS ??????
- 142-19-8(CAS DataBase Reference)
??
- ?? ? ?? ??
- ?? ? ???? ?? (GHS)
| ??? ?? | Xn | ||
|---|---|---|---|
| ?? ???? ?? | 21/22-20/21/22 | ||
| ????? | 36/37 | ||
| ????(UN No.) | UN 2810 6.1/PG 3 | ||
| WGK ?? | 3 | ||
| RTECS ?? | MJ1750000 | ||
| TSCA | TSCA listed | ||
| ?? ?? | 6.1 | ||
| ???? | III | ||
| HS ?? | 29159000 | ||
| ???? ??? | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
||
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 |
||
| ?? | guinea pig,LD50,oral,444mg/kg (444mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | ||
| ???? ?? | KE-29745 |
?? ?????? C??? ??, ??, ??
??? ??
Allyl heptanoate is a clear colourless liquid with characteristic wine odor and a slight banana note and banana-like flavor. It has been found in wild edible mushrooms. It is used in perfume compositions for apple-like (pineapple) notes. Insoluble in water, miscible with essential oils and perfume materials, poorly soluble in Propylene glycol. B.P. 210℃. Sp.Gr. 0.890,??
Has apparently not been reported to occur in nature.??
Allyl heptanoate was one of the first to be Flavor and Extract Manufacturers Association-registered GRAS (generally recognized as safe). It can be used as part of ester complexes, primarily in fruit flavors like apple, pineapple, pear, plum, banana, fruit punch, and tropicals such as kiwi, papaya and mango. It can also play an important role in the fruity notes of aged cheeses, especially Parmesan, Asiago and grana padano.?? ??
Allyl heptanoate is manufactured by direct esterification of allyl alcohol with heptanoic acid in the presence of concentrated sulfuric acid.??
ChEBI: Allyl heptanoate is a fatty acid ester.?? ??
Allyl heptanoate is a flavor and fragrance ingredient that may be present in karanda fruit. It has a fruity-pineapple, banana odour with mango and honey notes. It is widely used in tropical fruit composition; for perfumery applications the recommended usage level is up to 2%.Safety Profile
Moderately 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.?? ??
The 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).?? ?????? ?? ?? ? ???
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???( 410)?? ??
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