acetaldehyde ethyl isobutyl acetal
 
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IUPAC name :1-(1-ethoxyethoxy)-2-methylpropane
InChI :InChI=1/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey :YEKSEJHZJGHKBN-UHFFFAOYAC
SMILES :CCOC(C)OCC(C)C
(EINECS) number :230-251-3
cas number :6986-51-2
fema number :4528
coe number :10054
fl. number :06.091
molar refractivity :42.51 ± 0.3 cm3
parachor :384.5 ± 4.0 cm3
index of refraction :1.403 ± 0.02
surface tension :23.8 ± 3.0 dyne/cm
density :0.840 ± 0.06 g/cm3
polarizability :16.85 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 146.2273200
formula :C8 H18 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81800 - 0.82400 @ 25.00 °C.
pounds per gallon - calc. : 6.807 to 6.857
refractive index :1.38100 - 1.38700 @ 20.00 °C.
boiling point : 155.00 °C. @ 760.00 mm Hg
logp : 2.02
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 77.00  °F.  TCC  ( 25.00 °C. )
  
recommendation for acetaldehyde ethyl isobutyl acetal usage levels up to :
  4.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :230-251-3
toxnet :006986512
epa-srs :6986-51-2
  
other : 
 
references : 
pubchem :110941
  
synonyms :
 acetaldehyde ethyl 2-methyl propyl acetal
1-isobutoxy-1-ethoxyethane
1-(1-ethoxyethoxy)-2-methyl propane
 acetaldehyde ethyl isobutyl acetal
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
natural occurrence in :
 not found in nature



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