2-propionyl pyrrole
 
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IUPAC name :1-(1H-pyrrol-2-yl)propan-1-one
InChI :InChI=1/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3
InChIKey :AEJPPSRYXGEVDT-UHFFFAOYAV
SMILES :CCC(=O)C1=CC=CN1
(EINECS) number :214-026-7
cas number :1073-26-3
beilstein number :0108936
fema number :3614
coe number :11942
jecfa number :1319
fl. number :14.068
molar refractivity :35.34 ± 0.3 cm3
parachor :291.8 ± 4.0 cm3
index of refraction :1.522 ± 0.02
surface tension :40.3 ± 3.0 dyne/cm
density :1.063 ± 0.06 g/cm3
polarizability :14.01 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 123.1524600
formula :C7 H9 N O
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor type :popcorn
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
roast popcorn
properties : 
appearence :white crystals
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 43.00 - 45.00 °C. @ 760.00 mm Hg
boiling point : 230.00 - 232.00 °C. @ 760.00 mm Hg
logp : 1.41
safety : 
Oral Toxicity(LD50) : Oral-Mouse    1620.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 215.00  °F.  TCC  ( 101.67 °C. )
  
recommendation for 2-propionyl pyrrole usage levels up to :
  0.0500 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :214-026-7
chemidplus :001073263
epa-srs :1073-26-3
dtp/nci :81353)
  
other : 
 
references : 
jecfa number :1319
fl. number :14.068
pubchem :197525
NIST Chemistry WebBook :3746857581
  
synonyms :
 ethyl 2-pyrrolyl ketone
2-propionyl pyrrole
alpha-propionyl pyrrole
1-(1H-pyrrol-2-yl) propan-1-one
1-2-pyrrolyl-1-propanone
1-(2-pyrrolyl)-1-propanone
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl pyrazine
2-acetyl pyridine
3-acetyl pyridine
2-acetyl thiazole
2-acetyl-2-thiazoline
2-acetyl-3-ethyl pyrazine
2-acetyl-3,5(or 6)-dimethyl pyrazine
2-acetyl-5-methyl pyrazine
2-acetyl-6-methyl pyrazine
 acorn acetate
 dimethyl sulfide
 ethyl dimethyl pyrazine
 filbert pyrazine
 geranyl crotonate
2-methyl piperidine
5-methyl quinoxaline
 nutty quinoxaline
 popcorn pyrimidine
2-propionyl thiazole
 yeast thiazoline
(odor and/or flavor) used in :
 popcorn
natural occurrence in :
found in nature



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