propionaldehyde
 
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IUPAC name :propanal
InChI :InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChIKey :NBBJYMSMWIIQGU-UHFFFAOYAZ
SMILES :CCC=O
(EINECS) number :204-623-0
eu annex :605-018-00-8
cas number :123-38-6
fema number :2923
coe number :90
jecfa number :83
fl. number :05.002
xlogp : 0.60
molecular weight : 58.0791400
formula :C3 H6 O
BioActivity Analysis :17389653
 
 
fda reg :172.515 h. number :2912.10
organoleptics : 
odor type :ethereal
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
earthy alcohol wine whiskey cocoa nutty
taste description³ :at 5.00 - 10.00 ppm.  
Musty, yeasty, ethereal, nutty and vegetative with nuances of potato, blue cheese, grape, banana, apple, broccoli, almond and chocolate
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.79800 - 0.84500 @ 25.00 °C.
pounds per gallon - calc. : 6.640 to 7.031
refractive index :1.36500 - 1.37500 @ 20.00 °C.
melting point : -81.00 - -80.00 °C. @ 760.00 mm Hg
boiling point : 46.00 - 50.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 0.59
safety : 
Oral Toxicity(LD50) : Oral-Rat    1410.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  2460.00  mg/kg    
  
flash point ( Deg. F. ) : -16.00  °F.  TCC  ( -26.67 °C. )
  
recommendation for propionaldehyde usage levels up to :
 not for fragrance use.
  
recommendation for propionaldehyde usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :204-623-0
rtecs :UE0350000 for 123-38-6
chemidplus :000123386
epa-srs :123-38-6
dtp/nci :6493
  
other : 
 
references : 
pubchem :173294
NIST Chemistry WebBook :652407045
  
reference : Mosciano, Gerard P&F 26, No. 3, 80, (2001)³
synonyms :
 methyl acetaldehyde
 propaldehyde
 propanal
N-propanal
 propanaldehyde
 propional
 propionaldehyde
 propionic aldehyde
 propyl aldehyde
 propylic aldehyde
soluble in :
 alcohol
 ether
 water, 306000 mg/L @ 25C
(odor and/or flavor) used in :
 apple
 banana
 beer
 bread
 camphor
 carrot
 cheese cheddar cheese
 chocolate cocoa
 cider
 clary sage
 corn
 cucumber
 fish
 nut
 peach
 pine scotch pine
 rose centifolia
 strawberry
 tomato
natural occurrence in :
apple
apple juice
banana
beer
brandy grape brandy
bread white bread
butter
camphor
carrot
cauliflower
cheese bleu cheese
cheese cheddar cheese
clary sage
cucumber
fish
data pageosmanthus absolute @ trace%
pinus silvestris
pork cooked pork
potato chip
rice cooked rice
sake
strawberry
tea
tomato
whiskey
wine



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