methyl propyl disulfide
 
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IUPAC name :1-methyldisulfanylpropane
InChI :InChI=1/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
InChIKey :PUCHCUYBORIUSM-UHFFFAOYAT
SMILES :CCCSSC
(EINECS) number :218-551-2
cas number :2179-60-4
fema number :3201
coe number :585
jecfa number :565
fl. number :12.019
molar refractivity :36.57 ± 0.3 cm3
parachor :292.6 ± 4.0 cm3
index of refraction :1.508 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :14.49 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 122.2522000
formula :C4 H10 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.  
sulfury onion radish mustard tomato garlic
taste description³ :at 0.50 ppm.  
Onion, garlic, tomato, potato, alliaceous and vegetative
properties : 
appearence :pale yellow to yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99000 - 0.99900 @ 25.00 °C.
pounds per gallon - calc. : 8.238 to 8.313
refractive index :1.50800 - 1.51800 @ 20.00 °C.
boiling point : 69.00 - 71.00 °C. @ 43.00 mm Hg
boiling point : 40.00 - 41.00 °C. @ 9.00 mm Hg
logp : 2.83
shelf life : 12.00 month(s) or longer if stored properly.
Storage :refrigerate in tightly sealed containers.
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 109.00  °F.  TCC  ( 42.78 °C. )
  
recommendation for methyl propyl disulfide usage levels up to :
 not for fragrance use.
  
recommendation for methyl propyl disulfide usage levels up to :
  1.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :218-551-2
chemidplus :002179604
epa-srs :2179-60-4
  
other : 
 
references : 
pubchem :159821
NIST Chemistry WebBook :2290985852
  
reference : Mosciano, Gerard P&F 21, No. 5, 49, (1996)³
synonyms :
2,3-dithiahexane
 methyl dithiopropane
 methyl propyl disulfide
 propyl methyl disulfide
soluble in :
 alcohol
 oils
 water, very slightly
insoluble in :
 water
(odor and/or flavor) used in :
 garlic
 mustard
 onion
 potato
 radish
 tomato
natural occurrence in :
beef
data pageblood orange oil italy @ 3.10%
brassica oleracea
cabbage
chive
fenugreek
garlic
leek
onion
peanut
potato
shallot



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