2-mercapto-3-pentanone
 
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IUPAC name :2-sulfanylpentan-3-one
InChI :InChI=1/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3
InChIKey : TWOGJUHCCNLYPC-UHFFFAOYAR
SMILES :CCC(=O)C(C)S
cas number :17042-24-9
fl. number :12.140
molar refractivity :33.09 ± 0.3 cm3
parachor :285.3 ± 4.0 cm3
index of refraction :1.452 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :13.12 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 118.1973000
formula :C5 H10 O S
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor description :
roasted meat
properties : 
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 157.00 - 159.00 °C. @ 760.00 mm Hg
logp : 1.20
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 120.00  °F.  TCC  ( 48.89 °C. )
  
safety links : 
chemidplus :17042-24-9
epa-srs :17042-24-9
  
other : 
 
references : 
fl. number :12.140
pubchem :11077642
NIST Chemistry WebBook :440272711
  
synonyms :
2-mercapto-3-pentanone
2-mercaptopentan-3-one
2-mercaptopentanone
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
not found in nature



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