ethyl methyl sulfide
 
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IUPAC name :methylsulfanylethane
InChI :InChI=1/C3H8S/c1-3-4-2/h3H2,1-2H3
InChIKey :WXEHBUMAEPOYKP-UHFFFAOYAC
SMILES :CCSC
(EINECS) number :210-868-4
cas number :624-89-5
fema number :3860
coe number :11474
jecfa number :453
fl. number :12.154
molar refractivity :23.94 ± 0.3 cm3
parachor :202.1 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :23.2 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :9.49 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 76.1606200
formula :C3 H8 S
 
 
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.  
sulfury garlic tomato coffee pyridene cabbage
taste description³ :at 0.25 - 2.00 ppm.  
Sulfurous, vegetative, dimethyl sulfide-like sweet corn notes, eggy, meaty and clam nuances
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84200 - 0.84700 @ 25.00 °C.
pounds per gallon - calc. : 7.006 to 7.048
refractive index :1.38900 - 1.39900 @ 20.00 °C.
melting point :-106.00 °C. @ 760.00 mm Hg
boiling point : 66.00 - 67.00 °C. @ 760.00 mm Hg
logp : 1.54
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 5.00  °F.  TCC  ( -15.00 °C. )
  
recommendation for ethyl methyl sulfide usage levels up to :
 not for fragrance use.
  
recommendation for ethyl methyl sulfide usage levels up to :
  1.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :210-868-4
chemidplus :000624895
epa-srs :624-89-5
  
other : 
 
references : 
pubchem :155551
NIST Chemistry WebBook :1487030035
  
reference : Mosciano, Gerard P&F 25, No. 3, 25, (2000)³
synonyms :
 ethyl methyl sulfide
 ethyl methyl thioether
 methyl ethyl sulfide
1-(methyl thio) ethane
 methyl thioethane
2-thiabutane
soluble in :
 alcohol
 oils
 water, 6430 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 cabbage
 clam
 coffee
 corn sweet corn
 garlic
 meat
 onion
 potato
 shellfish
natural occurrence in :
beef boiled beef
chicken cooked chicken
cocoa
coffee
pork
rum
tomato
whiskey



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