2-acetyl-1-pyrroline
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1-(4,5-dihydro-3H-pyrrol-2-yl)ethanone
InChI :InChI=1/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
InChIKey :DQBQWWSFRPLIAX-UHFFFAOYAG
SMILES :CC(=O)C1=NCCC1
cas number :99583-29-6
fema number :4249
jecfa number :1604
fl. number :14.080
molar refractivity :31.36 ± 0.5 cm3
parachor :249.1 ± 8.0 cm3
index of refraction :1.531 ± 0.05
surface tension :36.4 ± 7.0 dyne/cm
density :1.09 ± 0.1 g/cm3
polarizability :12.43 ± 0.5 10-24cm3
xlogp : -0.10
molecular weight : 111.1417600
formula :C6 H9 N O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
fishy

properties :
appearence :colorless to yellow solid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 19.00 °C. @ 760.00 mm Hg
boiling point : 182.00 - 183.00 °C. @ 760.00 mm Hg
logp : -1.27

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 151.00  °F.  TCC  ( 66.11 °C. )
  
recommendation for 2-acetyl-1-pyrroline usage levels up to :
 not for fragrance use.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
4249 average usual ppmaverage maximum ppm
baked goods : 2.0000010.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 0.200001.00000
cheese : 0.400002.00000
chewing gum : --
condiments / relishes : 0.100000.50000
confectionery froastings : 1.000005.00000
egg products : --
fats / oils : 0.100000.50000
fish products : 0.200001.00000
frozen dairy : 0.400002.00000
fruit ices : 0.400002.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.200001.00000
milk products : 0.400002.00000
nut products : --
other grains : 0.200001.00000
poultry : 0.200001.00000
processed fruits : 0.400002.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.100000.50000
snack foods : 1.000005.00000
soft candy : --
soups : 0.100000.50000
sugar substitutes : --
sweet sauces : --

safety links :
chemidplus :99583-29-6
epa-srs :99583-29-6
  
EPI System :Click here

other :
 

references :
jecfa number :1604
fl. number :14.080
pubchem :10536967
NIST Chemistry WebBook :10848514
  
synonyms :
2-acetyl-1-pyrroline
1-(3,4-dihydro-2H-pyrrol-5-yl) ethanone
soluble in :
 alcohol
 water
(odor and/or flavor) blends with :
1-amino-2-propanol
 amyl amine
 butyl amine
(±)-sec-butyl amine
isobutyl amine
4,5-dimethyl thiazole
 ethyl amine
 hexyl amine
2-methyl butyl amine
2-methyl piperidine
3-penten-2-one
isopentylidene isopentyl amine
 phenethyl amine
 propionyl pyrroline 1% in vegatable oil triglyceride
isopropyl amine
(R)-N,N,alpha-trimethyl benzyl amine
 tripropyl amine
(odor and/or flavor) used in :
 cereal
 cheese
 dairy
 fish
 fruit
natural occurrence in :
not found in nature



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 11/13/2008