Cyclohexanpropansäure-2-propenylester

Bezeichnung:Cyclohexanpropansäure-2-propenylester

CAS-Nr2705-87-5

Englisch Name:Allyl cyclohexylpropionate

CBNumberCB5153752

SummenformelC12H20O2

Molgewicht196.29

MOL-Datei2705-87-5.mol

Synonyma

Allyl-3-cyclohexylpropionat

Cyclohexanpropansäure-2-propenylester

Cyclohexanpropansäure-2-propenylester physikalisch-chemischer Eigenschaften

Schmelzpunkt	<-20°
Siedepunkt	91 °C1 mm Hg(lit.)
Dichte	0.948 g/mL at 25 °C(lit.)
Dampfdruck	3.8Pa at 25℃
Brechungsindex	n20/D 1.46(lit.)
FEMA	2026 \| ALLYL CYCLOHEXANEPROPIONATE
Flammpunkt	227 °F
storage temp.	Inert atmosphere,Room Temperature
Löslichkeit	almost transparency in Methanol
Farbe	Colorless to Almost colorless
Geruch (Odor)	at 100.00 %. sweet pineapple tropical fruity candy waxy
Geruchsart	fruity
Biologische Quelle	synthetic
Wasserlöslichkeit	16.5mg/L at 20℃
JECFA Number	13
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
InChIKey	TWXUTZNBHUWMKJ-UHFFFAOYSA-N
SMILES	C=CCOC(=O)CCC1CCCCC1
LogP	4.276 at 20℃
CAS Datenbank	2705-87-5(CAS DataBase Reference)
NIST chemische Informationen	Cyclohexanepropanoic acid, 2-propenyl ester(2705-87-5)
EPA chemische Informationen	Allyl cyclohexanepropionate (2705-87-5)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	20/21/22
S-Sätze:	36/37/39-45
RIDADR	2810
WGK Germany	2
RTECS-Nr.	GV6735000
TSCA	TSCA listed
HazardClass	6.1(b)
PackingGroup	III
HS Code	29162090
Speicherklasse	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Skin Sens. 1
Toxizität	The acute oral LD₅₀ has been reported as 585 mg/kg in the rat (Br & Griepentrog, 1967).

Gefahreninformationscode (GHS)

Allyl cyclohexylpropionate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
Chemische Eigenschaften
Allyl cyclohexylpropionate has not been found in nature. It is a colorless liquid with a sweet, fruity odor, reminiscent of pineapples.The ester is prepared by esterification of 3-cyclohexylpropionic acid (obtained by hydrogenation of cinnamic acid) with allyl alcohol. It is used in perfumery to obtain fruity top notes as well as pineapple and chamomile nuances.
Chemische Eigenschaften
A colorless liquid with pineapple aroma. Almost insoluble in water, miscible with alcohol, essential oils, perfume and flavor chemicals. Used as a flavoring agent or adjuvant
Occurrence
Apparently has not been reported to occur in nature.
Verwenden
Allyl 3-Cyclohexylpropanoate is used in preparation of a new type of environmentally friendly paint thinner. It useful as a topnote ingredient in certain perfume types, also as a modifier for already existing materials: Allyl caproate, Linalylacetate, Methyl phenyl carbinyl propionate, Sweet Orange oil, etc. More important in flavors: this chemical is often the chief carrier of the fruity note in imitation Pineapple, and an interesting modifier in imitation Strawberry, Raspbe~, etc. A powerful fortifier in the popular “tutti- -frutti” flavor types. Concentration in perfumes: usually less than 1% of the composition. Concentration in flavors: 10 to 40 ppm in finished food products, somewhat higher in chewing gum and certain candies.
synthetische
By direct esterification of cyclohexylpropionic acid with allyl alcohol in the presence of benzene.
Definition
ChEBI: Allyl cyclohexylpropionate is a fatty acid ester.
Taste threshold values
Taste characteristics at 30 ppm: fruity, pineapple, waxy, with green sweet apple nuances.
Flammability and Explosibility
Not classified
Sicherheitsprofil
Poison by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. Combustible liquid. See ALLYL COMPOUNDS and ESTERS
Stoffwechsel
Allyl compounds are metabolized to mercapturic acid which is excreted in the urine (Clapp, Kaye & Young, 1969). Cyclohexylpropionic acid is aromatized to benzoic acid and excreted as hippuric acid in the urine. Substituted cyclohexylcarboxylic acids are either excreted unchanged or completely oxidized (Williams, 1959).

Allyl cyclohexylpropionate Upstream-Materialien And Downstream Produkte

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

2705-87-5, Allyl cyclohexylpropionate Verwandte Suche:

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