dipropyl disulfide
 
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IUPAC name :1-propyldisulfanylpropane
InChI :InChI=1/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKey :ALVPFGSHPUPROW-UHFFFAOYAZ
SMILES :CCCSSCCC
(EINECS) number :211-079-8
cas number :629-19-6
fema number :3228
coe number :540
jecfa number :566
fl. number :12.014
molar refractivity :45.84 ± 0.3 cm3
parachor :372.1 ± 4.0 cm3
index of refraction :1.501 ± 0.02
surface tension :32.8 ± 3.0 dyne/cm
density :0.966 ± 0.06 g/cm3
polarizability :18.17 ± 0.5 10-24cm3
xlogp : 3.00
molecular weight : 150.3053600
formula :C6 H14 S2
BioActivity Analysis :48415288
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :alliaceous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
sulfury earthy burnt green onion
taste description³ :at 10.00 ppm.  
Alliaceous, sulfureous, green, vegetative and asafetida nuances
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95000 - 0.96000 @ 25.00 °C.
pounds per gallon - calc. : 7.905 to 7.988
refractive index :1.49700 - 1.49800 @ 20.00 °C.
melting point : -86.00 °C. @ 760.00 mm Hg
boiling point : 194.00 - 195.00 °C. @ 760.00 mm Hg
boiling point : 99.00 °C. @ 40.00 mm Hg
logp : 3.84
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 151.00  °F.  TCC  ( 66.11 °C. )
  
recommendation for dipropyl disulfide usage levels up to :
 not for fragrance use.
  
recommendation for dipropyl disulfide usage levels up to :
  0.3000 ppm in the flavor.
  
safety links : 
(EINECS) number :211-079-8
rtecs :JO1955000 for 629-19-6
chemidplus :000629196
epa-srs :629-19-6
dtp/nci :75122
  
other : 
 
references : 
pubchem :155698
NIST Chemistry WebBook :3134425677
  
reference : Mosciano, Gerard P&F 20, No. 3, 63, (1995)³
synonyms :
 di-N-propyl disulfide
 dipropyl disulfide
4,5-dithiaoctane
 propyl disulfide
1-propyl disulfide
1-(propyl dithio) propane
 propyl dithiopropane
soluble in :
 alcohol
 oils
 water, 90 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 garlic
 onion
 scallion
 tropical
 vegetable
natural occurrence in :
data pageblood orange oil italy @ <0.10%
data pageblood orange oil italy @ 30.60%
onion



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