cinnamyl hexanoate 6994-20-3

cinnamyl hexanoate

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IUPAC name :

[(E)-3-phenylprop-2-enyl] hexanoate

InChI :

InChI=1/C15H20O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3/b11-8+

InChIKey :

BHXVENZBMFLCKE-DHZHZOJOBD

SMILES :

CCCCCC(=O)OC\C=C\C1=CC=CC=C1

cas number :	6994-20-3
molar refractivity :	71.71 ± 0.3 cm3
parachor :	573.6 ± 4.0 cm3
index of refraction :	1.527 ± 0.02
surface tension :	36.7 ± 3.0 dyne/cm
density :	0.997 ± 0.06 g/cm3
polarizability :	28.42 ± 0.5 10-24cm3
XlogP :	4.50
molecular weight :	232.3181000
formula :	C15 H20 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

cinnamyl caproate

organoleptics :

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

343.00 to 344.00 °C. @ 760.00 mm Hg

flash point :

269.00 °F. TCC ( 131.67 °C. )

logP (o/w) :

4.74

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

safety references :

EPI System :

view

[(E)-3-phenylprop-2-enyl] hexanoate

chemidplus :

6994-20-3

EPA Substance Registry Services :

6994-20-3

dtp/nci :

53971

references :

[(E)-3-phenylprop-2-enyl] hexanoate

pubchem :

10379008

other :

synonyms :
	cinnamyl caproate
	hexanoic acid 3-phenyl-2-propenyl ester
[(E)-3-	phenylprop-2-enyl] hexanoate
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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