acetal
 
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IUPAC name :1,1-diethoxyethane
InChI :InChI=1/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
InChIKey :DHKHKXVYLBGOIT-UHFFFAOYAL
SMILES :CCOC(C)OCC
(EINECS) number :203-310-6
eu annex :605-015-00-1
cas number :105-57-7
fema number :2002
coe number :35
jecfa number :941
fl. number :06.001
molar refractivity :33.29 ± 0.3 cm3
parachor :307.5 ± 4.0 cm3
index of refraction :1.389 ± 0.02
surface tension :22.8 ± 3.0 dyne/cm
density :0.840 ± 0.06 g/cm3
polarizability :13.19 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 118.1741600
formula :C6 H14 O2
BioActivity Analysis :17389208
 
 
fda reg :172.515 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.  
ether green nut earthy sweet vegetable
substantivity :< 1 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82700 - 0.83900 @ 25.00 °C.
pounds per gallon - calc. : 6.881 to 6.981
refractive index :1.37200 - 1.38500 @ 20.00 °C.
melting point :-100.00 °C. @ 760.00 mm Hg
boiling point : 102.00 - 104.00 °C. @ 760.00 mm Hg
boiling point : 32.00 - 33.00 °C. @ 50.00 mm Hg
logp : 0.84
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    4600.00  mg/kg  MDZEAK  8,244,1967
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : -5.00  °F.  TCC  ( -20.56 °C. )
  
recommendation for acetal usage levels up to :
 not for fragrance use.
  
recommendation for acetal usage levels up to :
  100.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-310-6
rtecs :AB2800000 for 105-57-7
toxnet :105-57-7
epa-srs :105-57-7
pubchem :105-57-7
  
other : 
 
references : 
synonyms :
 acetal
 acetaldehyde diethyl acetal
1,1-diethoxyethane
 diethyl acetal
 ethylidine diethyl ether
soluble in :
 alcohol
 aliphatic alcohols
 ethyl ether
 water, 44000 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 apple
 berry
 citrus
 fruit tropical fruit
 green
 nut
 peach
 rum
 saki
 vegetable
 whiskey
natural occurrence in :
 berries
 citrus fruits
 rum
 sake
 vegetables
 whiskey



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