acetyl isobutyryl
 
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IUPAC name :4-methylpentane-2,3-dione
InChI :InChI=1/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3
InChIKey :JENYBWHRLYZSSZ-UHFFFAOYAP
SMILES :CC(C)C(=O)C(=O)C
(EINECS) number :231-328-4
cas number :7493-58-5
fema number :2730
coe number :2043
jecfa number :411
fl. number :07.063
molar refractivity :29.86 ± 0.3 cm3
parachor :278.3 ± 4.0 cm3
index of refraction :1.403 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.934 ± 0.06 g/cm3
polarizability :11.83 ± 0.5 10-24cm3
xlogp : 0.30
molecular weight : 114.1424000
formula :C6 H10 O2
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :buttery
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet fruity buttery creamy fatty
taste description³ :at 80.00 ppm.  
Sweet, creamy, fruity, buttery, with a cooked estry nuance
properties : 
appearence :pale yellow to yellow clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : -2.40 °C. @ 760.00 mm Hg
boiling point : 116.00 °C. @ 760.00 mm Hg
logp : -0.45
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 84.00  °F.  TCC  ( 28.89 °C. )
  
recommendation for acetyl isobutyryl usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for acetyl isobutyryl usage levels up to :
  80.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :231-328-4
toxnet :7493-58-5
epa-srs :7493-58-5
pubchem :7493-58-5
  
other : 
 
references : 
reference : Mosciano, Gerard P&F 17, No. 3, 57, (1992)³
synonyms :
 acetyl isobutyryl
 methyl isopropyl diketone
4-methyl pentane-2,3-dione
4-methyl-2,3-pentane dione
isopropyl methyl diketone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 banana
 butter
 cream
 nut
natural occurrence in :
 found in nature



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