ethyl methyl trisulfide
 
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IUPAC name :methylsulfanyldisulfanylethane
InChI :InChI=1/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3
InChIKey :XEKUTWIJPKGAQT-UHFFFAOYAU
SMILES :CCSSSC
cas number :31499-71-5
fema number :3861
coe number :12155
jecfa number :583
fl. number :12.155
molar refractivity :39.93 ± 0.3 cm3
parachor :303.4 ± 4.0 cm3
index of refraction :1.580 ± 0.02
surface tension :40.9 ± 3.0 dyne/cm
density :1.169 ± 0.06 g/cm3
polarizability :15.83 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 140.2906200
formula :C3 H8 S3
 
 
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 onion
properties : 
appearence :colorless to pale yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.14200 - 1.45300 @ 20.00 °C.
pounds per gallon - calc. : 9.514 to 12.105
refractive index :1.57600 - 1.58200 @ 20.00 °C.
boiling point : 201.00 - 202.00 °C. @ 760.00 mm Hg
logp : 3.46
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 151.00  °F.  TCC  ( 66.11 °C. )
  
recommendation for ethyl methyl trisulfide usage levels up to :
 not for fragrance use.
  
safety links : 
chemidplus :031499715
epa-srs :31499-71-5
  
other : 
 
references : 
jecfa number :583
fl. number :12.155
pubchem :3738159
NIST Chemistry WebBook :760559704
  
synonyms :
 ethyl methyl trisulfide
 methyl ethyl trisulfide
2,3,4-trithiahexane
soluble in :
 alcohol
 oils
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl mercaptan
 allyl methyl sulfide
 allyl methyl trisulfide
 allyl propyl trisulfide
 asafetida absolute
 butyl mercaptan
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 diethyl trisulfide
 dipropyl sulfide
1,4-dithiane
(odor and/or flavor) used in :
 garlic
 onion
natural occurrence in :
found in nature



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