allyl 2-furoate
 
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IUPAC name :prop-2-enyl furan-2-carboxylate
InChI :InChI=1/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2
InChIKey :SJRQTHAMRUOPBJ-UHFFFAOYAT
SMILES :C=CCOC(=O)C1=CC=CO1
(EINECS) number :224-128-3
cas number :4208-49-5
fema number :2030
coe number :360
jecfa number :21
fl. number :13.004
molar refractivity :39.31 ± 0.3 cm3
parachor :334.6 ± 4.0 cm3
index of refraction :1.480 ± 0.02
surface tension :34.3 ± 3.0 dyne/cm
density :1.100 ± 0.06 g/cm3
polarizability :15.58 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 152.1473200
formula :C8 H8 O3
BioActivity Analysis :81621
 
 
fda reg :unspecified h. number :2932.19.0000
organoleptics : 
odor type :caramellic
odor strength :medium
odor description :
at 100.00 %.  
caramel fruity jam
properties : 
appearence :colorless to yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.18100 @ 25.00 °C.
refractive index :1.49300 - 1.49700 @ 20.00 °C.
boiling point : 206.00 - 209.00 °C. @ 760.00 mm Hg
logp : 1.80
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 205.00  °F.  TCC  ( 96.11 °C. )
  
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl 2-furoate usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for allyl 2-furoate usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :224-128-3
chemidplus :004208495
epa-srs :4208-49-5
dtp/nci :18604
  
ifra :ifra - ( Found under : Allyl esters )
other : 
 
references : 
pubchem :197604
  
synonyms :
 allyl 2-furoate
 allyl furan-2-carboxylate
 allyl pyromucate
2-propen-1-yl 2-furoate
2-propenyl 2-furoate
2-propenyl furan-2-carboxylate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 caramel
 fruit
 jam
 mushroom
 vanilla
natural occurrence in :
not found in nature



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