acetaldehyde dimethyl acetal
 
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IUPAC name :1,1-dimethoxyethane
InChI :InChI=1/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
InChIKey :SPEUIVXLLWOEMJ-UHFFFAOYAV
SMILES :CC(OC)OC
(EINECS) number :208-589-8
cas number :534-15-6
fema number :3426
coe number :510
jecfa number :940
fl. number :06.015
molar refractivity :24.02 ± 0.3 cm3
parachor :228.0 ± 4.0 cm3
index of refraction :1.364 ± 0.02
surface tension :20.1 ± 3.0 dyne/cm
density :0.837 ± 0.06 g/cm3
polarizability :9.52 ± 0.5 10-24cm3
xlogp : 0.40
molecular weight : 90.1210000
formula :C4 H10 O2
 
 
fda reg :unspecified h. number :2911.00.5000
organoleptics : 
odor type :ethereal
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
sharp sweet alcohol ether green new mown hay
substantivity :< 1 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84000 - 0.86000 @ 25.00 °C.
pounds per gallon - calc. : 6.990 to 7.156
refractive index :1.36600 - 1.36800 @ 20.00 °C.
melting point :-113.20 °C. @ 760.00 mm Hg
boiling point : 64.00 - 65.00 °C. @ 760.00 mm Hg
logp : 0.22
safety : 
most important hazard(s) : R 12 - Extremely flammable.
  
Oral Toxicity(LD50) : Oral-Rat    4507.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  20.00  gm/kg    
  
flash point ( Deg. F. ) : 1.00  °F.  TCC  ( -17.22 °C. )
  
recommendation for acetaldehyde dimethyl acetal usage levels up to :
 not for fragrance use.
  
recommendation for acetaldehyde dimethyl acetal usage levels up to :
  6.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :208-589-8
rtecs :AB2825000 for 534-15-6
toxnet :534-15-6
epa-srs :534-15-6
pubchem :534-15-6
  
other : 
 
references : 
synonyms :
 acetaldehyde dimethyl acetal
 acetaldehyde methyl acetal
1,1-dimethoxyethane
 dimethyl acetal
 dimethyl aldehyde
 ethylidene dimethyl ether
3-methyl-2,4-dioxapentane
soluble in :
 alcohol
 water, 1000000 mg/L @ 25C
stability :
 alkalis
(odor and/or flavor) used in :
 blackberry
 coffee
 foliage
 hops houblon
 raspberry
 strawberry
 tea
natural occurrence in :
 blackberry
 coffee
 hop
 raspberry
 rum
 strawberry
 tea



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