isoeugenyl acetate
 
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IUPAC name :[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
InChI :InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
InChIKey : IUSBVFZKQJGVEP-SNAWJCMRBS
SMILES :C\C=C\C1=CC(=C(C=C1)OC(=O)C)OC
(EINECS) number :202-236-1
cas number :93-29-8
fema number :2470
coe number :220
jecfa number :1262
fl. number :09.030
molar refractivity :60.16 ± 0.3 cm3
parachor :468.4 ± 4.0 cm3
index of refraction :1.539 ± 0.02
surface tension :35.3 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :23.85 ± 0.5 10-24cm3
xlogp : 2.90
molecular weight : 206.2377600
formula :C12 H14 O3
BioActivity Analysis :99569
 
 
fda reg :172.515 h. number :2916.35.1500
organoleptics : 
odor type :spicy
odor strength :medium
odor description :
at 100.00 %.  
sweet spicy floral carnation balsam
substantivity :400  Hour(s)
properties : 
appearence :white crystalline powder
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 79.00 - 81.00 °C. @ 760.00 mm Hg
boiling point : 282.00 - 283.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.54
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    3450.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 300.00  °F.  TCC  ( > 148.89 °C. )
  
recommendation for isoeugenyl acetate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for isoeugenyl acetate usage levels up to :
  100.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :202-236-1
rtecs :SL7940000 for 93-29-8
chemidplus :000093298
epa-srs :93-29-8
dtp/nci :46121
  
other : 
  C of A
references : 
pubchem :150173
NIST Chemistry WebBook :3715792752
  
synonyms :
 acetisoeugenol
4-acetoxy-3-methoxy-1-propen-1-yl benzene
4-acetoxy-3-methoxy-1-propenyl benzene
 acetyl isoeugenol
isoeugenol acetate
isoeugenyl acetate
2-methoxy-4-(propenyl-1) phenyl acetate
2-methoxy-4-propenyl phenyl acetate
soluble in :
 alcohol
 fixed oils
 water, 40 mg/L @ 20C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetophenone
2-acetyl furan
 allspice oil
 amber carbinol
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzyl cinnamate
 benzyl isoeugenol
 benzyl salicylate
isobornyl acetate
isobutyl cinnamate
isobutyl salicylate
 caramel furanone
 carnation absolute
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coconut absolute
 coriander seed oil
 costus valerolactone
 coumarin
para-cresyl phenyl acetate
 cyclohexyl ethyl alcohol
gamma-decalactone
 dihydrojasmone
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dodecanol
 ethyl cinnamate
4-ethyl guaiacol
 ethyl maltol
 ethyl vanillin
 eugenol
 fir balsam absolute
 floral pyranol
 guaiacol
 guaiacwood oil
 guaiacyl phenyl acetate
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 ionones
 labdanum resinoid
 lavender absolute
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 methyl acetophenone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl cyclopentenolone
 methyl ionones
 methyl isoeugenol
 musks
beta-naphthyl ethyl ether
 nerol
 oakmoss absolute
 ocean propanal
gamma-octalactone
 orris pyridine
 patchouli ethanone
 patchouli oil
 pepper oil black
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 tetrahydrojasmone
 timber propanol
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
10-undecen-1-yl acetate
 vanilla absolute
 vanillyl acetate
 verymoss
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol
(odor and/or flavor) used in :
 absinthe
 acacia
 acorn
 allspice
 amber
 ambreine
 ambrette
 animal
 arnica
 azalea
 balsam
 bay rum
 bayberry
 benzoin
 blossom tropical blossom
 bread baked bread
 broom genet genista
 cabreuva
 cake
 calamus
 cappuccino
 capsicum
 caramel
 carnation dianthus oeillet
 cascarilla
 cassia
 cassia blossom
 cassie acacia farnesiana
 castoreum
 chamomile
 champaca champak
 cherry black cherry
 chestnut blossom
 chicory root
 chocolate cacao
 cinnamon
 clove
 clove blossom
 coconut
 coconut tropical coconut
 coffee
 cookie
 copaiba
 coronilla
 currant
 cypress
 dahlia
 daisy
 daphne
 date
 deertongue
 dogwood
 elder blossom
 fagonia
 fantasy blends
 fenugreek
 fern fougere
 fig
 fir balsam
 floral
 flouve
 flouve blossom
 forest
 gingerbread
 graham cracker
 grass sweet grass
 guaiacwood
 habuba
 hawthorn
 hay new mown hay foin coupe
 heather
 hollyberry
 hugonia
 immortelle helichrysum everlasting
 incense
 iris blossom
 jasmin
 kewda
 labdanum
 leaf autumn leaf
 leather
 liverwort
 lovage
 maja
 malt
 mate
 milk malted milk
 moss
 mulberry
 musk
 narcissus narcisse
 nutmeg
 oakmoss mousse de chene
 oakwood
 opoponax
 oriental
 osmanthus
 patchouli
 petunia
 pimento
 plum
 powder
 pumpkin
 rose
 rose d'orient
 rose moss rose
 rose white rose
 saffron
 sandalwood
 spice
 spicewood
 stock evening scented stock
 straw
 timber
 tobacco tabac tabaco
 tonka
 tulip
 valerian
 vanilla
 weedy
 wistaria wisteria glycine
 woodruff asperula
 woody
natural occurrence in :
not found in nature



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