Heptansäure-2-propenylester

Bezeichnung:Heptansäure-2-propenylester

CAS-Nr142-19-8

Englisch Name:Allyl heptanoate

CBNumberCB2366829

SummenformelC10H18O2

Molgewicht170.25

MOL-Datei142-19-8.mol

Synonyma

Allylheptanoat

Heptansäure-2-propenylester

Heptansäure-2-propenylester physikalisch-chemischer Eigenschaften

Schmelzpunkt	-66 °C
Siedepunkt	210 °C
Dichte	0.885 g/mL at 25 °C(lit.)
Dampfdruck	30.3Pa at 25℃
FEMA	2031 \| ALLYL HEPTANOATE
Brechungsindex	n20/D 1.428(lit.)
Flammpunkt	180 °F
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	soluble in Methanol
Aggregatzustand	clear liquid
Farbe	A colourless liquid.
Geruch (Odor)	at 100.00 %. sweet pineapple fruity waxy banana fusel cognac
Geruchsart	fruity
Biologische Quelle	synthetic
Wasserlöslichkeit	INSOLUBLE
JECFA Number	4
BRN	8544440
Major Application	flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
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 Datenbank	142-19-8(CAS DataBase Reference)
NIST chemische Informationen	Allyl heptanoate(142-19-8)
EPA chemische Informationen	Allyl heptanoate (142-19-8)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	21/22-20/21/22
S-Sätze:	36/37
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS-Nr.	MJ1750000
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	III
HS Code	29159000
Speicherklasse	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
Toxizität	guinea pig,LD50,oral,444mg/kg (444mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Gefahreninformationscode (GHS)

Allyl heptanoate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R21/22:Gesundheitsschädlich bei Berührung mit der Haut und beim Verschlucken.
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
Chemische Eigenschaften
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,
Occurrence
Has apparently not been reported to occur in nature.
Verwenden
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.
synthetische
Allyl heptanoate is manufactured by direct esterification of allyl alcohol with heptanoic acid in the presence of concentrated sulfuric acid.
Definition
ChEBI: Allyl heptanoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 10 ppm: fruity, pineapple-like with waxy tropical nuance
Toxicity evaluation
The 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).
Allgemeine Beschreibung
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%.
Biochem/physiol Actions
Taste at 5-10ppm
Sicherheitsprofil
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.
Stoffwechsel
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).

Allyl heptanoate Upstream-Materialien And Downstream Produkte

Heptansäure-2-propenylester Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

142-19-8, Allyl heptanoate Verwandte Suche:

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