isoeugenyl formate
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IUPAC name :[2-methoxy-4-[(E)-prop-1-enyl]phenyl] formate
InChI :InChI=1/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3-8H,1-2H3/b4-3+
InChIKey :QUUXIMKMPYPPDM-ONEGZZNKBV
SMILES :C\C=C\C1=CC(=C(C=C1)OC=O)OC
cas number :7774-96-1
(EINECS) number :231-884-8
fema number :2474
coe number :356
jecfa number :1261
fl. number :09.089
molar refractivity :55.68 ± 0.3 cm3
parachor :432.4 ± 4.0 cm3
index of refraction :1.546 ± 0.02
surface tension :36.6 ± 3.0 dyne/cm
density :1.093 ± 0.06 g/cm3
polarizability :22.07 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 192.2111800
formula :C11 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515

organoleptics :
odor type :orris
odor strength :medium
odor description :
at 100.00 %.  
orris green sweet woody clove

properties :
appearence :pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.03800 @ 15.00 °C.
refractive index :1.56600 @ 20.00 °C.
boiling point : 282.00 °C. @ 760.00 mm Hg
flash point : 253.00  °F.  TCC  ( 122.78 °C. )
logP (o/w) : 1.89

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

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

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 [2-methoxy-4-[(E)-prop-1-enyl]phenyl] formate
(EINECS) number :231-884-8
chemidplus :007774961
EPA Substance Registry Services :7774-96-1

references :
 [2-methoxy-4-[(E)-prop-1-enyl]phenyl] formate
fl. number :09.089
jecfa number :1261
pubchem :204190

other :
synonyms :
isoeugenol formate
iso-eugenyl formate
2-methoxy-4-(1-propen-1-yl) phenyl formate
2-methoxy-4-(1-propenyl) phenyl formate
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] formate
2-methoxy-4-propenyl phenyl formate
2-methoxy-4,1-propen-1-yl phenyl formate
4,1-propen-1-yl-2-methoxyphenyl formate
4-(1-propen-1-yl)-2-methoxyphenyl formate

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 allspice oil
 allspice oleoresin
 amber carane
 amyl salicylate
 atractylis root oil
 basil oil
 basil oil CO2 sweet
 bay leaf oil
 birch oil sweet america
 bois de rose oil
isobutyl angelate
 butyl salicylate
isobutyl salicylate
 calamus leaf oil
 canella bark oil
 carrot leaf oil
 carrot seed oil
 carrot seed oil spain
 carrot weed oil
 carvacrol
 caryophyllene
beta-caryophyllene
isocaryophyllene
alpha-caryophyllene alcohol
 caryophyllene alcohol acetate
beta-caryophyllene oxide
 cascarilla bark oil
 cassie absolute
 cedarwood oil atlas
 cedrela wood oil
 chamomile oil
 cinnamaldehyde dimethyl acetal
 cinnamon bark oil
 cinnamon bark oil (cinnamomum zeylanicum blume) india
 cinnamon leaf oil
 cinnamon oleoresin
 cinnamyl alcohol
 clove bud absolute
 clove bud concrete
 clove bud oil
 clove bud oleoresin
 clove leaf oil
 clove leaf oil terpeneless
 clove stem oil
 clover nitrile
alpha-copaene
 coranol
 coriander oleoresin
 costus root absolute
 costus root oil
 costus root resinoid
 cubeb oil
 cumin seed absolute
 currant bud absolute black
para-cymene
 dihydroeugenol
 dihydrojasmone
 dihydrolinalool
 dill weed oil
 dill weed oil cuba
 dill weed oil reunion
3,6-dimethyl-3-octanol
 elemi oil
4-ethyl guaiacol
 ethyl isoeugenol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 eugenol
isoeugenol
 eugenyl acetate
 eugenyl benzoate
 eugenyl isovalerate
isoeugenyl phenyl acetate
 fennel seed oil
 frankincense absolute
 frankincense resinoid
 galangal root oil
 geranium oil
(E)-germacrene D
 ginger oleoresin
 ginger root oil
 ginger root oil brazil
 grains of paradise oil
 guaiacwood oil
 guaiyl acetate
(E,E)-2,4-hexadien-1-al
 ho leaf oil
 ho wood oil
 hop absolute
 hop oil
 huon pine wood oil
 juniper berry oleoresin
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 lychee mercaptan acetate
 mace oil
 methyl eugenol
 methyl furfuracrylate
4-methyl guaiacol
 methyl heptadienone
 methyl heptanoate
 methyl isoeugenol
 methyl phenyl sulfide
bis(methyl thio) methane
4-methyl-2,6-dimethoxyphenol
 mimosa absolute
gamma-muurolene
 ocimene quintoxide
 octanal diethyl acetal
2-octanol
3-octanol
 octyl phenyl acetate
 opoponax absolute
 orthodon dianthera maxim. oil vietnam
 parsley seed oil
 patchouli absolute
 phenyl acetaldehyde
2-phenyl propyl alcohol
 phenyl propyl phenyl acetate
 pimenta leaf oil
 pimento berry absolute
 pimento berry oil
 propyl salicylate
 rhubarb oxirane
 rose absolute
 salvia atropatana bunge oil iran
 spicy carbonate
 spicy pentanone
 spikenard oil
 tansy flower oil canada
 tansy flower oil dutch
 tansy leaf oil dutch
 tansy oil
 tetrahydrolinalool
 theaspirane
 turmeric oleoresin
 turmeric root absolute
 vanillin propylene glycol acetal
 zedoary bark oil

(odor and/or flavor) used in :
 balsam
 herbal
 orris iris
 spice
 woody

natural occurrence in :
not found in nature



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