Cinnamylformiat

FEMA 2299 · Cinnamate formate · 3-Phenyl-2-propen-1-yl formate · Nsc21737 · Wln: vho2U1r · Cinnamylformiat · CINNAMYL FORMATE · cinnamylmethanoate

https://huagongshe.com/de/chemical/7712

Identifikatoren & physikalische Daten

CAS No.	104-65-4
Summenformel	C10H10O2
Durchschnittliche Molmasse	162,18 g/mol
Monoisotopische Masse	162,06807956 g/mol
SMILES	O=COCC=Cc1ccccc1
InChIKey	LBHJXKYRYCUGPD-UHFFFAOYSA-N
PubChem CID	7712
DTXSID	DTXSID00861714
Lokaler Name	Cinnamylformiat

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	12
Formalladung	0
Komplexität	146
Siedepunkt	250-254 °C (lit.)
Dichte	1.08 g/mL at 25 °C (lit.)
Dampfdruck	2.666Pa at 25℃
FEMA	2299 \| CINNAMYL FORMATE
Brechungsindex	n20/D 1.553(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Inert atmosphere,Store in freezer, under -20°C
Geruch	at 100.00 %. balsam fruity floral green herbal cinnamyl narcissus
Geruchsart	balsamic
Biologische Quelle	synthetic
Löslichkeit	725.1mg/L at 25℃
JECFA Number	649
Hauptanwendungen	flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+
InChIKey	LBHJXKYRYCUGPD-QPJJXVBHSA-N
SMILES	O=COC\C=C\c1ccccc1
LogP (Verteilungskoeffizient)	2.3 at 25℃
EPA chemische Informationen	2-Propen-1-ol, 3-phenyl-, formate (104-65-4)

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
RTECS-Nr.	UD5530000
Toxizität	The acute oral LD50 in rats was reported as 2.9 g/kg (2.38-3.54 g/kg) and the acute dermal LD50 in rabbits as > 5 g/kg (Denine. 1973).
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Occurrence

Reported found in narcissus.

Verwenden

Cinnamyl formate is used in trace amounts in flavor compositions, particularly Apple, Banana, Cherry,Pear, Spice, etc. It is particularly interesting in imitation Banana, where it can produce true-to-Nature notes if used discretely, and perhaps in combination with Mimosa absolute, also in traces.

Herstellung & Synthese

synthetische

By esterification of cinnamyl alcohol with formic acid.