amyl mercaptan
 
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IUPAC name :pentane-1-thiol
InChI :InChI=1/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey :ZRKMQKLGEQPLNS-UHFFFAOYAZ
SMILES :CCCCCS
(EINECS) number :203-789-1
cas number :110-66-7
fema number :4333
jecfa number :1662
fl. number :12.191
molar refractivity :33.10 ± 0.3 cm3
parachor :282.9 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :26.1 ± 3.0 dyne/cm
density :0.832 ± 0.06 g/cm3
polarizability :13.12 ± 0.5 10-24cm3
xlogp : 2.80
molecular weight : 104.2137800
formula :C5 H12 S
 
 
fda reg :unspecified h. number :2930.90.5050
organoleptics : 
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
meaty
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83100 - 0.84400 @ 25.00 °C.
pounds per gallon - calc. : 6.915 to 7.023
refractive index :1.44100 - 1.45000 @ 20.00 °C.
boiling point : 124.00 - 126.00 °C. @ 760.00 mm Hg
logp : 2.84
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 65.00  °F.  TCC  ( 18.33 °C. )
  
recommendation for amyl 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.
4333 average usual ppmaverage maximum ppm
baked goods : 0.060000.50000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : 0.010000.05000
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : 0.100000.50000
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : 0.050000.50000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.100000.50000
milk products : 0.100000.50000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.400002.00000
snack foods : --
soft candy : --
soups : 0.100000.50000
sugar substitutes : --
sweet sauces : --
safety links : 
(EINECS) number :203-789-1
rtecs :SA3150000 for 110-66-7
chemidplus :000110667
epa-srs :110-66-7
  
other : 
 
references : 
jecfa number :1662
fl. number :12.191
pubchem :151187
NIST Chemistry WebBook :1906723593
  
synonyms :
 amyl mercaptan
 amyl sulfhydrate
 amyl thioalcohol
2-methyl butyl mercaptan
2-methyl-1-butane thiol
2-methyl-1-butanethiol
2-methyl-1-butanethiol
1-pentane thiol
 pentane-1-thiol
1-pentanethiol
 pentyl mercaptan
 thioamyl alcohol
soluble in :
 alcohol
 water, 156 mg/L @ 20C
insoluble in :
 water
natural occurrence in :
found in nature



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