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
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :1-ethyl-2-acetylpyrrole

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 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05200 to 1.05800 @ 25.00 °C.
pounds per gallon - calc. : 8.754 to 8.804
refractive index :1.55000 to 1.55600 @ 20.00 °C.
boiling point : 209.00 to 211.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 187.00  °F.  TCC  ( 86.11 °C. )
logP (o/w) : 1.19

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.009 (μg/capita/day)
 
recommendation for 1-ethyl-2-acetyl pyrrole usage levels up to :
 not for fragrance use.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 1-(1-ethylpyrrol-2-yl)ethanone
chemidplus :039741418
EPA Substance Registry Services :39741-41-8

references :
 1-(1-ethylpyrrol-2-yl)ethanone
fl. number :14.045
jecfa number :1305
pubchem :198436

other :
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
N-ethyl-2-acetyl pyrrole
1-(1-ethylpyrrol-2-yl)ethanone

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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