acetol acetate
 
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IUPAC name :2-oxopropyl acetate
InChI :InChI=1/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
InChIKey :DBERHVIZRVGDFO-UHFFFAOYAV
SMILES :CC(=O)COC(=O)C
(EINECS) number :209-746-3
cas number :592-20-1
coe number :607
fl. number :09.185
molar refractivity :27.01 ± 0.3 cm3
parachor :260.8 ± 4.0 cm3
index of refraction :1.399 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :1.039 ± 0.06 g/cm3
polarizability :10.71 ± 0.5 10-24cm3
xlogp : -0.10
molecular weight : 116.1152200
formula :C5 H8 O3
BioActivity Analysis :68977
 
 
fda reg :unspecified h. number :2915.39.9050
organoleptics : 
properties : 
Food Chemicals Codex Listed :No
specific gravity :1.07500 @ 20.00 °C.
refractive index :1.41500 @ 20.00 °C.
boiling point : 66.00 °C. @ 12.00 mm Hg
boiling point : 153.00 - 154.00 °C. @ 760.00 mm Hg
logp : -0.19
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 165.00  °F.  TCC  ( 73.89 °C. )
  
safety links : 
(EINECS) number :209-746-3
toxnet :592-20-1
epa-srs :592-20-1
pubchem :592-20-1
  
other : 
 
references : 
synonyms :
 acetol acetate
 acetonyl acetate
1-acetoxy-2-propanone
1-acetoxyacetone
 acetoxypropanone
1-hydroxy-2-propanone acetate
2-oxopropyl acetate
(odor and/or flavor) used in :
 bread
 chocolate cocoa
 coffee
 meat
 milk
 pineapple
natural occurrence in :
 not found in nature



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