acetyl pyrroline
 
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IUPAC name :1-(4,5-dihydro-1H-pyrrol-2-yl)ethanone
InChI :InChI=1/C6H9NO/c1-5(8)6-3-2-4-7-6/h3,7H,2,4H2,1H3
InChIKey :ZEKCQHIPQALHSP-UHFFFAOYAZ
SMILES :CC(=O)C1=CCCN1
cas number :85213-22-5
fema number :4249
coe number :1408
molar refractivity :30.60 ± 0.3 cm3
parachor :257.9 ± 6.0 cm3
index of refraction :1.482 ± 0.02
surface tension :33.4 ± 3.0 dyne/cm
density :1.035 ± 0.06 g/cm3
polarizability :12.13 ± 0.5 10-24cm3
xlogp : 0.30
molecular weight : 111.1417600
formula :C6 H9 N O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :roasted
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in propylene glycol.  
nutty roasted ham sweet
properties : 
Food Chemicals Codex Listed :No
boiling point : 252.00 - 253.00 °C. @ 760.00 mm Hg
logp : -0.69
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 261.00  °F.  TCC  ( 127.22 °C. )
  
recommendation for acetyl pyrroline usage levels up to :
  0.5000 % in the fragrance concentrate.
  
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).
publication number : 22.
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 :85213-22-5
epa-srs :85213-22-5
  
other : 
 
references : 
pubchem :10545042
NIST Chemistry WebBook :2300169892
  
synonyms :
 acetyl pyrroline
2-acetyl-1-pyrroline
soluble in :
 alcohol
 water
(odor and/or flavor) blends with :
2-acetyl-3-methyl pyrazine
3,6-cocoa pyrazine
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
 dimethyl dihydrocyclopentapyrazine
2,5-dimethyl thiazole
4,5-dimethyl thiazole
 filbert heptenone
 furfuryl thioacetate
2-heptyl furan
 nutty quinoxaline
2-propionyl-2-thiazoline
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
(odor and/or flavor) used in :
 cereal
 cheese
 dairy
 fish
 fruit
 popcorn
natural occurrence in :
bread crust
popcorn
rice



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Html Last modified 08/14/2008