hexanal dimethyl acetal
 
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IUPAC name :1,1-dimethoxyhexane
InChI :InChI=1/C8H18O2/c1-4-5-6-7-8(9-2)10-3/h8H,4-7H2,1-3H3
InChIKey :ZQUJUCJLDXTKKW-UHFFFAOYAY
SMILES :CCCCCC(OC)OC
(EINECS) number :216-488-5
cas number :1599-47-9
fl. number :06.073
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 : 2.50
molecular weight : 146.2273200
formula :C8 H18 O2
 
 
fda reg :unspecified h. number :2911.00.5000
organoleptics : 
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
green sweet dry musty
substantivity :8  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84100 - 0.85100 @ 25.00 °C.
pounds per gallon - calc. : 6.998 to 7.081
refractive index :1.40000 - 1.41000 @ 20.00 °C.
boiling point : 145.00 °C. @ 760.00 mm Hg
logp : 2.21
safety : 
most important hazard(s) : R 10 - Flammable.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 105.00  °F.  TCC  ( 40.56 °C. )
  
recommendation for hexanal dimethyl acetal usage levels up to :
  3.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :216-488-5
chemidplus :001599479
epa-srs :1599-47-9
  
other : 
 
references : 
pubchem :216376
NIST Chemistry WebBook :3899556692
  
synonyms :
 aldehyde C-6 dimethyl acetal
1,1-dimethoxyhexane
 hexaldehyde dimethyl acetal
 hexanal dimethyl acetal
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) used in :
 apple
 fruit
 green
 herbal
natural occurrence in :
found in nature



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