(Z)-isoeugenol
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IUPAC name :2-methoxy-4-[(Z)-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-ARJAWSKDBZ
SMILES :C\C=C/C1=CC(=C(C=C1)O)OC
cas number :5912-86-7
(EINECS) number :227-633-7
beilstein number :1909603
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
formula :C10 H12 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description :
at 100.00 %.  		spicy clove
properties :
appearence :colorless to pale yellow clear viscous liquid to solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 266.00 to 267.00 °C. @ 760.00 mm Hg
flash point : 253.00  °F.  TCC  ( 122.78 °C. )
logP (o/w) : 2.45
safety :
Oral Toxicity(LD50) :
  Intraperitoneal-Mouse    365.00  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 (Z)-isoeugenol usage levels up to :
  2.0000 % in the fragrance concentrate.
safety references :
EPI System :view
 
WGK Germany :2
 
 
 
 2-methoxy-4-[(Z)-prop-1-enyl]phenol
(EINECS) number :227-633-7
chemidplus :005912867
EPA Substance Registry Services :5912-86-7
references :
 2-methoxy-4-[(Z)-prop-1-enyl]phenol
NIST Chemistry WebBook :3682913259
pubchem :164878
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
cis-isoeugenol
2-methoxy-4-((Z)-1-propenyl) phenol
(Z)-2-methoxy-4-(prop-1-enyl) phenol
cis-2-methoxy-4-(prop-1-enyl) phenol
2-methoxy-4-[(Z)-prop-1-enyl]phenol
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
coffee
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