2-mercaptopropionic acid
 
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IUPAC name :2-sulfanylpropanoic acid
InChI :InChI=1/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)/f/h4H
InChIKey :PMNLUUOXGOOLSP-JLSKMEETCG
SMILES :CC(C(=O)O)S
(EINECS) number :201-206-5
cas number :79-42-5
beilstein number :0506218
fema number :3180
coe number :11790
jecfa number :551
fl. number :12.039
molar refractivity :25.36 ± 0.3 cm3
parachor :222.5 ± 4.0 cm3
index of refraction :1.494 ± 0.02
surface tension :42.6 ± 3.0 dyne/cm
density :1.218 ± 0.06 g/cm3
polarizability :10.05 ± 0.5 10-24cm3
xlogp : 0.40
molecular weight : 106.1435400
formula :C3 H6 O2 S
 
 
fda reg :unspecified h. number :2918.11.0000
organoleptics : 
odor type :sulfurous
odor strength :very high
odor description :
at 0.01 % in propylene glycol.  
meaty sulfury roasted
taste description³ :at 15.00 ppm.  
Meaty, sulfury, brothy, brown
substantivity :400  Hour(s)
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.19200 - 1.20000 @ 25.00 °C.
pounds per gallon - calc. : 9.919 to 9.985
refractive index :1.47900 - 1.48400 @ 20.00 °C.
melting point : 10.00 - 14.00 °C. @ 760.00 mm Hg
boiling point : 117.00 °C. @ 16.00 mm Hg
boiling point : 98.00 - 99.00 °C. @ 14.00 mm Hg
logp : 0.45
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 190.00  °F.  TCC  ( 87.78 °C. )
  
recommendation for 2-mercaptopropionic acid usage levels up to :
 not for fragrance use.
  
recommendation for 2-mercaptopropionic acid usage levels up to :
  50.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :201-206-5
rtecs :UF5250000 for 79-42-5
chemidplus :000079425
epa-srs :79-42-5
  
other : 
 
references : 
pubchem :203601
NIST Chemistry WebBook :715735476
  
reference : Mosciano, Gerard P&F 17, No. 5, 127, (1992)³
synonyms :
2-mercaptopropanoic acid
alpha-mercaptopropanoic acid
2-mercaptopropionic acid
alpha-mercaptopropionic acid
2-thiol propionic acid
 thiolactic acid
2-thiolactic acid
soluble in :
 acetone
 alcohol
 water
(odor and/or flavor) used in :
 coffee
 egg
 meat
 savory
 soup
natural occurrence in :
not found in nature



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