isoeugenyl butyl ether
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IUPAC name :1-butoxy-2-methoxy-4-prop-2-enylbenzene
InChI :InChI=1/C14H20O2/c1-4-6-10-16-13-9-8-12(7-5-2)11-14(13)15-3/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKey :UHKLUPWESCIICB-UHFFFAOYAJ
SMILES :CCCCOC1=C(C=C(C=C1)CC=C)OC
cas number :115422-59-8
coe number :11857
fl. number :04.071
molar refractivity :67.41 ± 0.3 cm3
parachor :545.3 ± 4.0 cm3
index of refraction :1.494 ± 0.02
surface tension :30.8 ± 3.0 dyne/cm
density :0.952 ± 0.06 g/cm3
polarizability :26.72 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 220.3074000
formula :C14 H20 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :

properties :
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 297.00 to 299.00 °C. @ 760.00 mm Hg
flash point : 220.00  °F.  TCC  ( 104.44 °C. )
logP (o/w) : 4.57

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

safety in use :
 
recommendation for isoeugenyl butyl ether usage levels up to :
  4.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 
 1-butoxy-2-methoxy-4-prop-2-enylbenzene
chemidplus :084019910
EPA Substance Registry Services :115422-59-8

references :
 1-butoxy-2-methoxy-4-prop-2-enylbenzene
fl. number :04.071
pubchem :3774209

other :
synonyms :
1-butoxy-2-methoxy-4-(1-propenyl) benzene
1-butoxy-2-methoxy-4-(1-propenyl)-benzene
1-butoxy-2-methoxy-4-prop-2-enylbenzene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
not found in nature



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