bis(methyl thio) methane
 
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IUPAC name :bis(methylsulfanyl)methane
InChI :InChI=1/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
InChIKey :LOCDPORVFVOGCR-UHFFFAOYAH
SMILES :CSCSC
(EINECS) number :216-577-9
cas number :1618-26-4
fema number :3878
jecfa number :533
fl. number :12.118
molar refractivity :31.94 ± 0.3 cm3
parachor :252.8 ± 4.0 cm3
index of refraction :1.514 ± 0.02
surface tension :32.3 ± 3.0 dyne/cm
density :1.021 ± 0.06 g/cm3
polarizability :12.66 ± 0.5 10-24cm3
xlogp : 1.90
molecular weight : 108.2256200
formula :C3 H8 S2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
garlic sulfury green spicy
taste description³ :at 0.10 - 0.30 ppm.  
Alliaceous, sulfurous fresh onion and garlic-like with cruciferous vegetable nuances of cabbage, spicy nuances of mustard and horseradish
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95900 - 1.05900 @ 25.00 °C.
pounds per gallon - calc. : 7.980 to 8.812
refractive index :1.53000 - 1.54000 @ 20.00 °C.
boiling point : 147.00 - 148.00 °C. @ 760.00 mm Hg
logp : 1.80
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 111.00  °F.  TCC  ( 43.89 °C. )
  
recommendation for bis(methyl thio) methane usage levels up to :
 not for fragrance use.
  
recommendation for bis(methyl thio) methane usage levels up to :
  0.0100 % in the flavor.
  
safety links : 
(EINECS) number :216-577-9
chemidplus :001618264
epa-srs :1618-26-4
dtp/nci :96010
  
other : 
 
references : 
pubchem :158701
NIST Chemistry WebBook :1840886587
  
reference : Mosciano, Gerard P&F 26, No. 5, 68, (2001)³
synonyms :
2,4-dithiapentane
2,4-dithiopentane
 formaldehyde dimethyl mercaptal
bis(methyl mercapto) methane
bis(methyl thio) methane
 methylene bis(methyl sulfide)
 thioformaldehyde dimethyl acetal
soluble in :
 alcohol
 oils
 water, very slightly
insoluble in :
 water
(odor and/or flavor) used in :
 coffee
 garlic
 mushroom
 onion
 truffle
 worchestshire
natural occurrence in :
cheese
lobster
mushroom



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