isoeugenyl benzoate 4194-00-7

isoeugenyl benzoate

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IUPAC name :

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] benzoate

InChI :

InChI=1/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-12H,1-2H3/b7-3+

InChIKey :

UREJOPRZQKQYLG-XVNBXDOJBN

SMILES :

C\C=C\C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC

cas number :	4194-00-7
(EINECS) number :	224-074-0
molar refractivity :	80.46 ± 0.3 cm3
parachor :	604.3 ± 4.0 cm3
index of refraction :	1.591 ± 0.02
surface tension :	41.6 ± 3.0 dyne/cm
density :	1.128 ± 0.06 g/cm3
polarizability :	31.89 ± 0.5 10-24cm3
XlogP :	4.60
molecular weight :	268.3071400
formula :	C17 H16 O3
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

properties :

appearence :

colorless to pale yellow clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

443.00 to 444.00 °C. @ 760.00 mm Hg

flash point :

374.00 °F. TCC ( 190.00 °C. )

logP (o/w) :

4.58

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] benzoate

(EINECS) number :

224-074-0

chemidplus :

004194007

EPA Substance Registry Services :

4194-00-7

references :

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] benzoate

pubchem :

684746

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

synonyms :
[2-	methoxy-4-[(E)-prop-1-enyl]phenyl] benzoate
2-	methoxy-4-prop-1-enyl phenyl benzoate
	propenyl guaiacol benzoate
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
	not found in nature

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