(E)-isoeugenol
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IUPAC name :2-methoxy-4-[(E)-prop-1-enyl]phenol
InChI :InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKey :BJIOGJUNALELMI-ONEGZZNKBO
SMILES :C\C=C\C1=CC(=C(C=C1)O)OC
cas number :5932-68-3
(EINECS) number :227-678-2
beilstein number :2046156
molar refractivity :50.70 ± 0.3 cm3
parachor :381.9 ± 4.0 cm3
index of refraction :1.577 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :1.074 ± 0.06 g/cm3
polarizability :20.10 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 164.2010800 (IUPAC)
formula :C10 H12 O2
BioActivity Analysis :125974
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor strength :medium
odor description¹ :
at 100.00 %.  
sweet spicy carnation phenolic floral
odor sample from :Chem-Fleur, Inc.

properties :
appearence :colorlss to pale yellow clear viscous liquid to solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 32.00 to 34.00 °C. @ 760.00 mm Hg
boiling point : 266.00 to 268.00 °C. @ 760.00 mm Hg
flash point : 253.00  °F.  TCC  ( 122.78 °C. )
logP (o/w) : 2.65

safety :
Oral Toxicity(LD50) :
  Intraperitoneal-Mouse    540.00  mg/kg

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

safety in use :
 
IFRA critical Effect :Sensitization
limits in the finished product for - "leave on the skin contact" :
  0.0200 % Restriction.
limits in the finished product for - "wash off the skin contact" :
  0.0200 % Restriction.
limits in the finished product for - "no skin contact" :
  0.2000 % Restriction.
recommendation for (E)-isoeugenol fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
SCCNFP :opinion
 
WGK Germany :2
 
 
 
 
2-methoxy-4-[(E)-prop-1-enyl]phenol
(EINECS) number :227-678-2
chemidplus :005932683
EPA Substance Registry Services :5932-68-3
dtp/nci :209522

references :
 
2-methoxy-4-[(E)-prop-1-enyl]phenol
NIST Chemistry WebBook :3592326126
pubchem :164893
Flavornet :5932-68-3

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(E)-isoeugenol
trans-isoeugenol
(E)-2-methoxy-4-(prop-1-enyl) phenol
trans-2-methoxy-4-(prop-1-enyl) phenol
2-methoxy-4-[(E)-prop-1-enyl]phenol
(E)-2-methoxy-4-propenyl phenol
trans-2-methoxy-4-propenyl phenol
(E)-para-propenyl quaiacol
trans-para-propenyl quaiacol

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
 amyl isoeugenolFR
homoanisaldehydeFL/FR
 benzyl isoeugenolFL/FR
 cananga leaf oilFL/FR
 cardamom absoluteFL/FR
 champaca absoluteFR
 cinnamyl acetateFL/FR
 cinnamyl isobutyrateFL/FR
 clary sage absoluteFL/FR
isocyclogeraniolFR
 dianthus ethoneFR
 elder flowers absoluteFR
 ethyl isoeugenolFL/FR
O-ethyl S-(2-furyl methyl) thiocarbonateFL
 eugenyl acetateFL/FR
isoeugenyl acetateFL/FR
isoeugenyl ethyl acetalFL/FR
 eugenyl phenyl acetateFL/FR
 heliotropyl diethyl acetalFL/FR
(E,E)-2,4-hexadien-1-alFL
(Z)-jasmoneFL/FR
 marigold pot absoluteFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
4-methyl biphenylFL
 methyl eugenolFL/FR
 methyl isoeugenolFL/FR
(±)-3-((2-methyl-3-furyl)thio)-2-butanoneFL
 phenethyl salicylateFL/FR
 phenyl amyl alcoholFL/FR
 rhubarb oxiraneFR
 rose oilFL/FR
 thioguaiacolFL
 tobacco flower absoluteFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 wallflower absoluteFR
 ylang ylang absoluteFL/FR
 zingeroneFL/FR

potential uses :
 carnation
 clove
 spice

natural occurrence in :
data pagecananga oil china @ 1.54% S
data pagejasmin absolute china @ 28.94% S
data pagelaurel leaf oil turkey @ 0.20% S
data pagemace oil CO2 extract @ 0.10% S
data pagenutmeg extract co2 west indian @ trace% S
data pagenutmeg flower oil @ 0.56% S
data pagenutmeg leaf oil @ 0.00-0.40% S
data pageosmanthus absolute @ 0.02% S



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