cyclopentyl mercaptan
 
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IUPAC name :cyclopentanethiol
InChI :InChI=1/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2
InChIKey :WVDYBOADDMMFIY-UHFFFAOYAN
SMILES :C1CCC(C1)S
(EINECS) number :216-841-3
cas number :1679-07-8
beilstein number :2343861
fema number :3262
coe number :2321
jecfa number :516
fl. number :12.029
molar refractivity :30.98 ± 0.4 cm3
parachor :251.5 ± 6.0 cm3
index of refraction :1.490 ± 0.03
surface tension :30.5 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :12.28 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 102.1979000
formula :C5 H10 S
 
 
fda reg :unspecified h. number :2910.90
organoleptics : 
odor type :alliaceous
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in propylene glycol.  
alliaceous onion garlic horseradish vegetable-celery egg
taste description³ :at 2.00 ppm.  
Alliaceous, onion, garlic, horseradiah, meat, egg, burned, vegetable, celery
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92000 - 0.92500 @ 25.00 °C.
pounds per gallon - calc. : 7.655 to 7.697
refractive index :1.48800 - 1.49020 @ 20.00 °C.
boiling point : 41.00 - 42.00 °C. @ 16.00 mm Hg
boiling point : 130.00 - 132.00 °C. @ 760.00 mm Hg
logp : 2.21
safety : 
Oral Toxicity(LD50) : Oral-Mouse    2680.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 77.00  °F.  TCC  ( 25.00 °C. )
  
recommendation for cyclopentyl mercaptan usage levels up to :
 not for fragrance use.
  
recommendation for cyclopentyl mercaptan usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :216-841-3
rtecs :GY4701000 for 1679-07-8
chemidplus :001679078
epa-srs :1679-07-8
  
other : 
 
references : 
pubchem :158821
NIST Chemistry WebBook :2720898137
  
reference : Mosciano, Gerard P&F 14, No. 6, 47, (1989)³
synonyms :
 cyclopentane thiol
 cyclopentyl mercaptan
 cyclopentyl thiol
 mercaptocyclopentane
soluble in :
 alcohol
 oils
 water, 758 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 egg
 garlic
 horseradish
 meat
 onion
natural occurrence in :
found in nature



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