phenyl acetaldehyde diethyl acetal
 
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IUPAC name :2,2-diethoxyethylbenzene
InChI :InChI=1/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey :FYERTDTXGGOMGT-UHFFFAOYAI
SMILES :CCOC(CC1=CC=CC=C1)OCC
(EINECS) number :228-642-9
cas number :6314-97-2
molar refractivity :57.78 ± 0.3 cm3
parachor :479.7 ± 4.0 cm3
index of refraction :1.485 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :22.90 ± 0.5 10-24cm3
xlogp : 2.70
molecular weight : 194.2701200
formula :C12 H18 O2
BioActivity Analysis :82741
 
 
fda reg :unspecified h. number :2911.00.5000
organoleptics : 
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
fresh green bluebell almond sweet limeblossom
properties : 
Food Chemicals Codex Listed :No
boiling point : 237.00 - 238.00 °C. @ 760.00 mm Hg
logp : 3.14
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :not determined
  
recommendation for phenyl acetaldehyde diethyl acetal usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for phenyl acetaldehyde diethyl acetal usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :228-642-9
chemidplus :006314972
epa-srs :6314-97-2
dtp/nci :20031
  
other : 
 
references : 
pubchem :657587
NIST Chemistry WebBook :1834009021
  
synonyms :
 benzene acetaldehyde diethyl acetal
2,2-diethoxyethyl benzene
(2,2-diethoxyethyl) benzene
 phenyl acetaldehyde diethyl acetal
 phenylacetaldehyde diethyl acetal
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) used in :
 bluebell
 green
 hyacinth jacinthe
 linden blossom limeflower tilleul
natural occurrence in :
not found in nature



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