ethyl mercaptan
 
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IUPAC name :ethanethiol
InChI :InChI=1/C2H6S/c1-2-3/h3H,2H2,1H3
InChIKey :DNJIEGIFACGWOD-UHFFFAOYAW
SMILES :CCS
(EINECS) number :200-837-3
eu annex :016-022-00-9
cas number :75-08-1
fema number :4258
coe number :546
jecfa number :1659
fl. number :12.017
molar refractivity :19.21 ± 0.3 cm3
parachor :163.5 ± 4.0 cm3
index of refraction :1.422 ± 0.02
surface tension :21.9 ± 3.0 dyne/cm
density :0.821 ± 0.06 g/cm3
polarizability :7.61 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 62.1340400
formula :C2 H6 S
BioActivity Analysis :399437
 
 
fda reg :unspecified h. number :2930.90.5050
organoleptics : 
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in propylene glycol.  
sulfurous fruity
properties : 
appearence :colorless to yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83300 - 0.83900 @ 25.00 °C.
pounds per gallon - calc. : 6.931 to 6.981
refractive index :1.42500 - 1.43100 @ 20.00 °C.
boiling point : 34.00 - 37.00 °C. @ 760.00 mm Hg
logp : 1.27
shelf life : 12.00 month(s) or longer if stored properly.
Storage :refrigerate in tightly sealed containers.
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    682.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 1.00  °F.  TCC  ( -17.22 °C. )
  
recommendation for ethyl mercaptan usage levels up to :
 not for fragrance use.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 23.
4258 average usual ppmaverage maximum ppm
baked goods : 0.200001.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 0.100000.50000
cheese : 0.200001.00000
chewing gum : --
condiments / relishes : 0.100000.50000
confectionery froastings : 0.200001.00000
egg products : --
fats / oils : 0.100000.50000
fish products : 0.100000.20000
frozen dairy : 0.200001.00000
fruit ices : 0.200001.00000
gelatins / puddings : 0.200001.00000
granulated sugar : --
gravies : 0.100000.50000
hard candy : 0.200001.00000
imitation dairy : 0.200001.00000
instant coffee / tea : --
jams / jellies : --
meat products : 0.100000.20000
milk products : 0.200001.00000
nut products : --
other grains : 0.100000.50000
poultry : 0.100000.20000
processed fruits : 0.200001.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.100000.50000
snack foods : 0.400002.00000
soft candy : 0.200001.00000
soups : 0.100000.50000
sugar substitutes : --
sweet sauces : 0.100000.50000
safety links : 
(EINECS) number :200-837-3
rtecs :K19625000 for 75-08-1
toxnet :75-08-1
epa-srs :75-08-1
pubchem :75-08-1
  
other : 
 
references : 
synonyms :
 ethane thiol
 ethyl hydrosulfide
 ethyl mercaptan
 ethyl sulfhydrate
 ethyl thioalcohol
 mercaptoethane
 thioethanol
 thioethyl alcohol
soluble in :
 alcohol
 water, 15600 mg/L @ 25C
natural occurrence in :
 not found in nature



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