propionyl pyrroline 1% in vegatable oil triglyceride
 
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IUPAC name :1-(4,5-dihydro-3H-pyrrol-2-yl)propan-1-one
InChI :InChI=1/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3
InChIKey :OVNCGQSYSSYBPO-UHFFFAOYAP
SMILES :CCC(=O)C1=NCCC1
cas number :133447-37-7
fema number :4063
jecfa number :1605
fl. number :14.168
molar refractivity :35.97± 0.5 cm3
parachor :287.7 ± 8.0 cm3
index of refraction :1.524 ± 0.05
surface tension :35.8 ± 7.0 dyne/cm
density :1.06 ± 0.1 g/cm3
polarizability :14.26 ± 0.5 10-24cm3
xlogp : 0.20
molecular weight : 125.1683400
formula :C7 H11 N O
 
 
export tariff code :unspecified
fda reg :unspecified
 

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

properties :
appearence :pale yellow to yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97900 to 0.98500 @ 25.00 °C.
pounds per gallon - calc. : 8.146 to 8.196
refractive index :1.44600 to 1.45200 @ 20.00 °C.
boiling point : 89.00 to 90.00 °C. @ 1.00 mm Hg
logp : -0.74

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 168.00  °F.  TCC  ( 75.56 °C. )
recommendation for propionyl pyrroline 1% in vegatable oil triglyceride 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).
publication number : 21.
4063 average usual ppmaverage maximum ppm
baked goods : 60.00000300.00000
beverages(nonalcoholic) : 1.2000012.00000
beverages(alcoholic) : 6.0000050.00000
breakfast cereal : 10.00000100.00000
cheese : --
chewing gum : 60.00000300.00000
condiments / relishes : --
confectionery froastings : 6.0000030.00000
egg products : 6.0000030.00000
fats / oils : 8.0000040.00000
fish products : --
frozen dairy : 20.00000100.00000
fruit ices : --
gelatins / puddings : 10.0000050.00000
granulated sugar : --
gravies : --
hard candy : 10.0000050.00000
imitation dairy : --
instant coffee / tea : 10.0000050.00000
jams / jellies : 10.0000050.00000
meat products : 10.0000050.00000
milk products : 10.0000050.00000
nut products : --
other grains : 10.0000050.00000
poultry : --
processed fruits : --
processed vegetables : 10.0000050.00000
reconstituted vegetables : --
seasonings / flavors : 10.0000050.00000
snack foods : 50.00000250.00000
soft candy : 10.0000050.00000
soups : --
sugar substitutes : --
sweet sauces : 6.0000030.00000

safety links :
 
 
chemidplus :133447-37-7
EPA Substance Registry Services :133447-37-7
NLM Chemical Carcinogenesis Research Information System :133447-37-7
NLM Developmental and Reproductive Toxicity :133447-37-7
NLM Env. Mutagen Info. Center :133447-37-7
NLM GENetic TOXicology :133447-37-7
EPI System :view

other :

references :
jecfa number :1605
fl. number :14.168
pubchem :11079275
NIST Chemistry WebBook :935952656
synonyms :
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-propanone 1% in vegatable oil triglyceride
 propionyl pyrroline 1% in vegatable oil triglyceride
2-propionyl pyrroline 1% in vegatable oil triglyceride
2-propionyl-1-pyrroline 1% in vegatable oil triglyceride

soluble in :
 alcohol
 triacetin

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetyl-1-pyrroline
1-amino-2-propanol
(±)-sec-butyl amine
4,5-dimethyl thiazole
2-methyl butyl amine
2-methyl piperidine
3-penten-2-one
isopentylidene isopentyl amine
 phenethyl amine
isopropyl amine
(R)-N,N,alpha-trimethyl benzyl amine
 tripropyl amine

natural occurrence in :
popcorn



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Html Last modified 11/23/2008