(R*,S*)-2-mercapto-3-butanol
 
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IUPAC name :3-sulfanylbutan-2-ol
InChI :InChI=1/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKey :MJQWABQELVFQJL-UHFFFAOYAU
SMILES :CC(C(C)S)O
(EINECS) number :253-701-0
cas number :37887-04-0
fema number :3502
coe number :760
jecfa number :546
fl. number :12.024
molar refractivity :29.92 ± 0.3 cm3
parachor :254.6 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.993 ± 0.06 g/cm3
polarizability :11.86 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 106.1866000
formula :C4 H10 O S
 
 
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 roasted meat alliaceous sauteed onion garlic
taste description³ :at 4.00 ppm.  
Meaty, savory, sauteed onion and garlic
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.98000 @ 25.00 °C.
refractive index :1.48900 @ 20.00 °C.
boiling point : 53.00 °C. @ 10.00 mm Hg
logp : 0.47
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 134.00  °F.  TCC  ( 56.67 °C. )
  
recommendation for (R*,S*)-2-mercapto-3-butanol usage levels up to :
 not for fragrance use.
  
recommendation for (R*,S*)-2-mercapto-3-butanol usage levels up to :
  4.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :253-701-0
chemidplus :037887040
epa-srs :37887-04-0
  
other : 
 
references : 
jecfa number :546
fl. number :12.024
pubchem :3740124
  
reference : Mosciano, Gerard P&F 21, No. 3, 51, (1996)³
synonyms :
(R*,S*)-3-hydroxy-2-butane thiol
(R*,S*)-2-hydroxy-3-butane thiol
(theta,S)-3-mercapto-2-butanol
(R*,S*)-2-mercapto-3-butanol
(R*,S*)-3-mercaptobutan-2-ol
soluble in :
 alcohol
 fat
insoluble in :
 water
(odor and/or flavor) blends with :
1,2-butane dithiol
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
2,5-dimethyl-3-thiofuroyl furan
2-mercapto-3-pentanone
2-mercaptopropionic acid
2-methyl-1-methyl thio-2-butene
2-methyl-3-(methyl thio) pyrazine
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
 nutty thiazole
 propyl 2-mercaptopropionate
2-pyridinyl methane thiol
 roasted butanol
 thialdine
(odor and/or flavor) used in :
 chicken
 garlic
 onion
 savory
natural occurrence in :
not found in nature



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