pyruvaldehyde
 
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IUPAC name :2-oxopropanal
InChI :InChI=1/C3H4O2/c1-3(5)2-4/h2H,1H3
InChIKey :AIJULSRZWUXGPQ-UHFFFAOYAZ
SMILES :CC(=O)C=O
(EINECS) number :201-164-8
cas number :78-98-8
beilstein number :0906750
fema number :2969
coe number :105
jecfa number :937
fl. number :07.001
molar refractivity :16.16 ± 0.3 cm3
parachor :165.4 ± 4.0 cm3
index of refraction :1.364 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.994 ± 0.06 g/cm3
polarizability :6.40 ± 0.5 10-24cm3
xlogp : -0.40
molecular weight : 72.0626600
formula :C3 H4 O2
BioActivity Analysis :119143
 
 
fda reg :172.515 h. number :2914.49.5000
organoleptics : 
odor type :caramellic
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
sweet acidic ether brown rum
taste description³ :at 0.10 %.  
Sweet, caramellic with a dairy creamy nuance
properties : 
appearence :yellow clear viscous liquid
Food Chemicals Codex Listed :No
specific gravity :1.17800 @ 25.00 °C.
refractive index :1.42090 @ 20.00 °C.
boiling point : 72.00 °C. @ 760.00 mm Hg
logp : -1.50
safety : 
Oral Toxicity(LD50) : Oral-Rat    1165.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 36.00  °F.  TCC  ( 2.22 °C. )
  
recommendation for pyruvaldehyde usage levels up to :
 not for fragrance use.
  
safety links : 
(EINECS) number :201-164-8
rtecs :UZ0700000 for 78-98-8
chemidplus :000078988
epa-srs :78-98-8
dtp/nci :79019
  
other : 
 
references : 
pubchem :149538
NIST Chemistry WebBook :3360114862
  
reference : Mosciano, Gerard P&F 17, No. 5, 127, (1992)³
synonyms :
 acetyl formaldehyde
 methyl glyoxal
2-oxopropanal
2-ketopropionaldehyde
alpha-ketopropionic aldehyde
 pyruvaldehyde
 pyruvic aldehyde
soluble in :
 alcohol
 water, 1000000 mg/L @ 25C
(odor and/or flavor) used in :
 caramel
 coffee
 maple
 rum
natural occurrence in :
beer
bread white bread
copal manilla



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