2-naphthyl mercaptan
 
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IUPAC name :naphthalene-2-thiol
InChI :InChI=1/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKey :RFCQDOVPMUSZMN-UHFFFAOYAG
SMILES :C1=CC=C2C=C(C=CC2=C1)S
(EINECS) number :202-082-5
cas number :91-60-1
beilstein number :0636389
fema number :3314
coe number :2330
jecfa number :531
fl. number :12.033
molar refractivity :52.27 ± 0.3 cm3
parachor :359.6 ± 4.0 cm3
index of refraction :1.693 ± 0.02
surface tension :48.6 ± 3.0 dyne/cm
density :1.176 ± 0.06 g/cm3
polarizability :20.72 ± 0.5 10-24cm3
xlogp : 3.70
molecular weight : 160.2355200
formula :C10 H8 S
BioActivity Analysis :70985
 
 
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 oily brown broth meaty rubbery mushroom
taste description³ :at 10.00 ppm.  
Sulfureous, meaty, brown, roasted, chicken, eggy with a slight nutty nuance
properties : 
appearence :colorless crystals
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 79.00 - 83.00 °C. @ 760.00 mm Hg
boiling point : 286.00 - 288.00 °C. @ 760.00 mm Hg
boiling point : 210.00 - 211.00 °C. @ 100.00 mm Hg
logp : 3.75
safety : 
Oral Toxicity(LD50) : Oral-Mouse    385.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 273.00  °F.  TCC  ( 133.89 °C. )
  
recommendation for 2-naphthyl mercaptan usage levels up to :
 not for fragrance use.
  
recommendation for 2-naphthyl mercaptan usage levels up to :
  1.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :202-082-5
rtecs :QK3930000 for 91-60-1
chemidplus :000091601
epa-srs :91-60-1
dtp/nci :4749
  
other : 
 
references : 
pubchem :150087
NIST Chemistry WebBook :3089205584
  
reference : Mosciano, Gerard P&F 19, No. 1, 27, (1994)³
synonyms :
2-mercaptonaphthalene
beta-mercaptonaphthalene
2-naphthalene thiol
beta-naphthalene thiol
 naphthalene-2-thiol
2-naphthyl mercaptan
beta-naphthyl mercaptan
2-naphthyl thiol
2-thionaphthol
soluble in :
 alcohol
 dipropylene glycol
 water, slightly
insoluble in :
 water
(odor and/or flavor) used in :
 chicken
 egg
 meat
 nut
 smoke
natural occurrence in :
found in nature



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