acetaldehyde dipropyl acetal
 
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IUPAC name :1-(1-propoxyethoxy)propane
InChI :InChI=1/C8H18O2/c1-4-6-9-8(3)10-7-5-2/h8H,4-7H2,1-3H3
InChIKey :MISTZQJSHHTDCF-UHFFFAOYAB
SMILES :CCCOC(C)OCCC
(EINECS) number :203-335-2
cas number :105-82-8
beilstein number :1697928
coe number :2342
fl. number :06.034
molar refractivity :42.56 ± 0.3 cm3
parachor :387.1 ± 4.0 cm3
index of refraction :1.404 ± 0.02
surface tension :24.6 ± 3.0 dyne/cm
density :0.841 ± 0.06 g/cm3
polarizability :16.87 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 146.2273200
formula :C8 H18 O2
 
 
fda reg :unspecified h. number :2911.00.5000
organoleptics : 
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fresh green chrysanthemum leafy herbal
substantivity :5 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82900 - 0.83900 @ 20.00 °C.
pounds per gallon - calc. : 6.906 to 6.989
refractive index :1.39200 - 1.40200 @ 20.00 °C.
boiling point : 143.00 - 150.00 °C. @ 760.00 mm Hg
boiling point : 33.00 °C. @ 30.00 mm Hg
logp : 2.21
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 95.00  °F.  TCC  ( 35.00 °C. )
  
recommendation for acetaldehyde dipropyl acetal usage levels up to :
  6.0000 % in the fragrance concentrate.
  
recommendation for acetaldehyde dipropyl acetal usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :203-335-2
toxnet :105-82-8
epa-srs :105-82-8
pubchem :105-82-8
  
other : 
 
references : 
synonyms :
 acetaldehyde dipropyl acetal
1,1-dipropoxyethane
 dipropyl acetal
1,1'-(ethylidene bis(oxy)) bispropane
 propyl acetal
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) used in :
 chrysanthemum chrysantheme
 green
 herbal
 leaf
 orris iris
 tomato
 wine
natural occurrence in :
 rum
 tomato
 wine



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