tert-butyl mercaptan
 
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IUPAC name :2-methylpropane-2-thiol
InChI :InChI=1/C4H10S/c1-4(2,3)5/h5H,1-3H3
InChIKey :WMXCDAVJEZZYLT-UHFFFAOYAT
SMILES :CC(C)(C)S
(EINECS) number :200-890-2
cas number :75-66-1
beilstein number :0505947
coe number :11537
fl. number :12.174
molar refractivity :28.44 ± 0.3 cm3
parachor :238.2 ± 4.0 cm3
index of refraction :1.436 ± 0.02
surface tension :23.1 ± 3.0 dyne/cm
density :0.830 ± 0.06 g/cm3
polarizability :11.27 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 90.1872000
formula :C4 H10 S
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor description :
sulfury
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 64.00 - 65.00 °C. @ 760.00 mm Hg
logp : 2.14
safety : 
Oral Toxicity(LD50) : Oral-Rat    4729.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : -12.00  °F.  TCC  ( -24.44 °C. )
  
recommendation for tert-butyl mercaptan usage levels up to :
 not for fragrance use.
  
safety links : 
(EINECS) number :200-890-2
rtecs :TZ7660000 for 75-66-1
toxnet :75-66-1
epa-srs :75-66-1
pubchem :75-66-1
  
other : 
 
references : 
synonyms :
tert-butane thiol
tert-butyl mercaptan
tert-butyl thiol
2-methyl propane-2-thiol
2-methyl-2-propane thiol
soluble in :
 alcohol
 water, 2050 mg/L @ 25C
natural occurrence in :
 not found in nature



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