dicyclohexyl disulfide
 
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IUPAC name :cyclohexyldisulfanylcyclohexane
InChI :InChI=1/C12H22S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey :ODHAQPXNQDBHSH-UHFFFAOYAS
SMILES :C1CCC(CC1)SSC2CCCCC2
(EINECS) number :219-851-6
cas number :2550-40-5
fema number :3448
coe number :2320
jecfa number :575
fl. number :12.028
molar refractivity :69.50 ± 0.4 cm3
parachor :552.3 ± 6.0 cm3
index of refraction :1.548 ± 0.03
surface tension :40.7 ± 5.0 dyne/cm
density :1.05 ± 0.1 g/cm3
polarizability :27.55 ± 0.5 10-24cm3
xlogp : 4.80
molecular weight : 230.4330800
formula :C12 H22 S2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :alliaceous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
alliaceous onion egg nut skin coffee clam crab
taste description³ :at 5.00 ppm.  
Onion, meaty, clam, crab, coffee and cocoa
properties : 
appearence :pale yellow to yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04600 @ 25.00 °C.
refractive index :1.54300 - 1.55300 @ 20.00 °C.
boiling point : 162.00 - 163.00 °C. @ 6.00 mm Hg
logp : 6.41
safety : 
Oral Toxicity(LD50) : Oral-Rat    2000.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for dicyclohexyl disulfide usage levels up to :
 not for fragrance use.
  
recommendation for dicyclohexyl disulfide usage levels up to :
  5.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :219-851-6
rtecs :JO1843850 for 2550-40-5
chemidplus :002550405
epa-srs :2550-40-5
  
other : 
 
references : 
pubchem :160530
  
reference : Mosciano, Gerard P&F 14, No. 6, 47, (1989)³
synonyms :
 cyclohexyl disulfide
bis(cyclohexyl) disulfide
 dicyclohexyl disulfide
soluble in :
 alcohol
 fat
 water, 0.1 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 clam
 coffee
 crab
 onion
natural occurrence in :
not found in nature



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