ethyl isoeugenol
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IUPAC name :1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
InChI :InChI=1/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4+
InChIKey :AOSKXPFBGRLCEG-GQCTYLIABS
SMILES :CCOC1=C(C=C(C=C1)\C=C\C)OC
cas number :7784-67-0
(EINECS) number :232-072-6
fema number :2472
coe number :190
jecfa number :1267
fl. number :04.017
molar refractivity :60.13 ± 0.3 cm3
parachor :463.3 ± 4.0 cm3
index of refraction :1.529 ± 0.02
surface tension :31.9 ± 3.0 dyne/cm
density :0.986 ± 0.06 g/cm3
polarizability :23.83 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 192.2542400
formula :C12 H16 O2
BioActivity Analysis :427392
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Sigma-Aldrich-Aldrich :isoeugenyl ethyl ether

organoleptics :
odor type :spicy
odor strength :medium
odor description :
at 100.00 %.  
like isoeugenol

properties :
appearence :white to pale yellow crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 63.00 to 64.00 °C. @ 760.00 mm Hg
boiling point : 245.00 °C. @ 760.00 mm Hg
flash point : 229.00  °F.  TCC  ( 109.44 °C. )
logP (o/w) : 3.58

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for ethyl isoeugenol usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
(EINECS) number :232-072-6
chemidplus :007784670
EPA Substance Registry Services :7784-67-0
dtp/nci :142123

references :
 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
fl. number :04.017
jecfa number :1267
pubchem :427392

other :
synonyms :
1-ethoxy-2-methoxy-4-(1-propenyl) benzene
1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
1-ethoxy-2-methoxy-4-propen-1-yl benzene
1-ethoxy-2-methoxy-4-propenyl benzene
2-ethoxy-5-propenyl anisole
isoeugenyl ethyl ether
iso-eugenyl ethyl ether
2-methoxy-4-prop-1-enyl phenetole

soluble in :
 acetic acid
 alcohol
 ether

insoluble in :
 water

(odor and/or flavor) blends with :
 allspice oil
 allspice oleoresin
 amyl isoeugenol
 amyl salicylate
homoanisaldehyde
 bay leaf oil
 benzyl isoeugenol
 bois de rose oil
 butyl salicylate
isobutyl salicylate
 calamus leaf oil
 cananga leaf oil
 canella bark oil
 cardamom absolute
 caryophyllene
beta-caryophyllene
 cassie absolute
 cedrela wood oil
 champaca absolute
 cinnamon leaf oil
 cinnamyl acetate
 cinnamyl isobutyrate
 clary sage absolute
 clove bud absolute
 clove bud oil
 clove bud oleoresin
 clove leaf oil
 clove leaf oil terpeneless
 clove stem oil
 clover nitrile
 coranol
 cubeb oil
isocyclogeraniol
 dianthus ethone
 dihydroeugenol
 dihydrolinalool
3,6-dimethyl-3-octanol
 elder flowers absolute
4-ethyl guaiacol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
O-ethyl S-(2-furyl methyl) thiocarbonate
 eugenol
isoeugenol
ortho-eugenol
 eugenyl acetate
isoeugenyl acetate
 eugenyl benzoate
isoeugenyl benzoate
isoeugenyl butyl ether
isoeugenyl ethyl acetal
 eugenyl formate
isoeugenyl formate
 eugenyl isovalerate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 heliotropyl diethyl acetal
(E,E)-2,4-hexadien-1-al
 ho leaf oil
 ho wood oil
(Z)-jasmone
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
(E)-para-methoxycinnamaldehyde
4-methyl biphenyl
 methyl eugenol
 methyl furfuracrylate
4-methyl guaiacol
 methyl isoeugenol
(±)-3-((2-methyl-3-furyl)thio)-2-butanone
 octyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl amyl alcohol
 pimenta leaf oil
 pimento berry absolute
 pimento berry oil
 propyl salicylate
 rhubarb oxirane
 tetrahydrolinalool
 tobacco flower absolute
 tuberose absolute
 tuberose absolute concrete
 wallflower absolute
 ylang ylang absolute

(odor and/or flavor) used in :
 balsam
 cassia
 cinnamon
 clove
 davana
 oriental
 spice
 tonka

natural occurrence in :
not found in nature



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