6-shogaol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
InChI :InChI=1/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
InChIKey :OQWKEEOHDMUXEO-BQYQJAHWBO
SMILES :CCCCC\C=C\C(=O)CCC1=CC(=C(C=C1)O)OC
cas number :555-66-8
molar refractivity :81.51 ± 0.3 cm3
parachor :666.1 ± 4.0 cm3
index of refraction :1.521 ± 0.02
surface tension :38.4 ± 3.0 dyne/cm
density :1.033 ± 0.06 g/cm3
polarizability :32.31 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 276.3706600
formula :C17 H24 O3
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
appearence :pale yellow to yellow clear oily liquid
assay : 92.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 427.00 - 428.00 °C. @ 760.00 mm Hg
logp : 3.85

safety :
Oral Toxicity(LD50) : Oral-Mouse    687.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 302.00  °F.  TCC  ( 150.00 °C. )
  

safety links :
chemidplus :000555668
epa-srs :555-66-8
  

other :
 

references :
pubchem :154453
NIST Chemistry WebBook :2233254926
  
synonyms :
1-(4-hydroxy-3-methoxyphenyl)-4-decen-3-one
(6)-shogaol
(E)-shogaol
6-shogaol
soluble in :
 water
insoluble in :
 paraffin oil
natural occurrence in :
ginger
data pageginger root oil CO2 extract @ 12.22%
data pageginger root oil CO2 extract australia @ 0.31%



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