1-ethyl-2-acetyl pyrrole
 
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IUPAC name :1-(1-ethylpyrrol-2-yl)ethanone
InChI :InChI=1/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3
InChIKey :HQADRFRTIALOCB-UHFFFAOYAZ
SMILES :CCN1C=CC=C1C(=O)C
cas number :39741-41-8
fema number :3147
coe number :11371
jecfa number :1305
fl. number :14.045
molar refractivity :41.29 ± 0.5 cm3
parachor :333.1 ± 8.0 cm3
index of refraction :1.506 ± 0.05
surface tension :33.0 ± 7.0 dyne/cm
density :0.98 ± 0.1 g/cm3
polarizability :16.37 ± 0.5 10-24cm3
xlogp : 1.40
molecular weight : 137.1790400
formula :C8 H11 N O
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
nutty
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05200 - 1.05800 @ 25.00 °C.
pounds per gallon - calc. : 8.754 to 8.804
refractive index :1.55000 - 1.55600 @ 20.00 °C.
boiling point : 218.00 - 219.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.19
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 187.00  °F.  TCC  ( 86.11 °C. )
  
recommendation for 1-ethyl-2-acetyl pyrrole usage levels up to :
  0.1000 % in the fragrance concentrate.
  
safety links : 
chemidplus :039741418
epa-srs :39741-41-8
  
other : 
 
references : 
jecfa number :1305
fl. number :14.045
pubchem :198436
  
synonyms :
2-acetyl-1-ethyl pyrrole
1-N-ethyl pyrrol-2-yl ethanone
1-(1-ethyl pyrrol-2-yl) ethanone
1-(1-ethyl-1H-pyrrol-2-yl) ethanone
1-ethyl-2-acetyl azole
1-ethyl-2-acetyl pyrrole
N-ethyl-2-acetyl pyrrole
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 nut
 tea green tea
natural occurrence in :
not found in nature



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