1-furfuryl pyrrole
 
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IUPAC name :1-(furan-2-ylmethyl)pyrrole
InChI :InChI=1/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
InChIKey :BTBFUBUCCJKJOZ-UHFFFAOYAF
SMILES :C1=CN(C=C1)CC2=CC=CO2
(EINECS) number :215-876-1
cas number :1438-94-4
beilstein number :0118476
fema number :3284
coe number :2317
jecfa number :1310
fl. number :13.134
molar refractivity :44.26 ± 0.5 cm3
parachor :345.5 ± 8.0 cm3
index of refraction :1.556 ± 0.05
surface tension :39.8 ± 7.0 dyne/cm
density :1.06 ± 0.1 g/cm3
polarizability :17.54 ± 0.5 10-24cm3
xlogp : 1.50
molecular weight : 147.1738600
formula :C9 H9 N O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :vegetable
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
plastic green waxy fruity coffee vegetable
taste description³ :at 5.00 ppm.  
Vegetative, onion, sharp and metallic
substantivity :24  Hour(s)
properties : 
appearence :yellow brown clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08100 - 1.08700 @ 25.00 °C.
pounds per gallon - calc. : 8.995 to 9.045
refractive index :1.53040 @ 20.00 °C.
boiling point : 76.00 - 78.00 °C. @ 1.00 mm Hg
logp : 1.88
safety : 
Oral Toxicity(LD50) : Oral-Rat    380.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 199.00  °F.  TCC  ( 92.78 °C. )
  
recommendation for 1-furfuryl pyrrole usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for 1-furfuryl pyrrole usage levels up to :
  5.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :215-876-1
rtecs :UX9631000 for 1438-94-4
chemidplus :001438944
epa-srs :1438-94-4
  
other : 
 
references : 
pubchem :158360
NIST Chemistry WebBook :328062326
  
reference : Mosciano, Gerard P&F 21, No. 2, 47, (1996)³
synonyms :
 furfurrole
 furfuryl pyrrole
1-furfuryl pyrrole
1-furfuryl-1H-pyrrole
1-furfurylpyrrole
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 bread wheat bread
 coffee
 green
 mushroom
 nut almond
 tomato
 vegetable
natural occurrence in :
almond roasted almond
beer
bread wheat bread
cereal
chicken roasted chicken
coffee
data pagelavender oil spike spain @ 0.015%
mushroom
potato
radish



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