isoamyl pyruvate
 
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IUPAC name :3-methylbutyl 2-oxopropanoate
InChI :InChI=1/C8H14O3/c1-6(2)4-5-11-8(10)7(3)9/h6H,4-5H2,1-3H3
InChIKey :LBKWGGFVEDOVEP-UHFFFAOYAA
SMILES :CC(C)CCOC(=O)C(=O)C
(EINECS) number :231-934-9
cas number :7779-72-8
fema number :2083
coe number :431
jecfa number :939
fl. number :09.443
molar refractivity :40.87 ± 0.3 cm3
parachor :377.6 ± 4.0 cm3
index of refraction :1.419 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.979 ± 0.06 g/cm3
polarizability :16.20 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 158.1949600
formula :C8 H14 O3
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
balsam rum arrack
properties : 
appearence :colorless to pale yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97800 @ 25.00 °C.
refractive index :1.41900 @ 20.00 °C.
boiling point : 185.00 °C. @ 760.00 mm Hg
boiling point : 86.00 °C. @ 14.00 mm Hg
logp : 1.46
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 169.00  °F.  TCC  ( 76.11 °C. )
  
recommendation for isoamyl pyruvate usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for isoamyl pyruvate usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :231-934-9
chemidplus :007779728
epa-srs :7779-72-8
  
other : 
 
references : 
pubchem :204211
  
synonyms :
isoamyl pyruvate
3-methyl butyl 2-oxopropanoate
isopentyl pyruvate
2-oxo-propanoic acid 3-methyl butyl ester
 pyruvic acid isopentyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 arrack
 balsam
 rum
natural occurrence in :
not found in nature



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