diethyl disulfide
 
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IUPAC name :ethyldisulfanylethane
InChI :InChI=1/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKey :CETBSQOFQKLHHZ-UHFFFAOYAU
SMILES :CCSSCC
(EINECS) number :203-805-7
cas number :110-81-6
fema number :4093
coe number :533
jecfa number :1699
fl. number :12.012
molar refractivity :36.57 ± 0.3 cm3
parachor :292.6 ± 4.0 cm3
index of refraction :1.508 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :14.49 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 122.2522000
formula :C4 H10 S2
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :Diethyl disulfide
 ≥98.5%
 
Treatt :Diethyl disulphide
Treatt USA :Diethyl disulphide
 
 

organoleptics :
odor type :alliaceous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description¹ :
at 0.10 % in triacetin.  
gassy ripe onion greasy garlic
taste description² :at 1.00 ppm in water.  
gassy onion
substantivity :< 1 hour(s) at 1.00 % in triacetin

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99000 - 0.99600 @ 25.00 °C.
pounds per gallon - calc. : 8.238 to 8.288
refractive index :1.50200 - 1.50800 @ 20.00 °C.
boiling point : 151.00 - 153.00 °C. @ 760.00 mm Hg
logp : 2.86

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    2030.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 104.00  °F.  TCC  ( 40.00 °C. )
  
recommendation for diethyl disulfide usage levels up to :
 not for fragrance use.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 22.
4093 average usual ppmaverage maximum ppm
baked goods : 0.200001.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 0.100000.50000
cheese : 0.200001.00000
chewing gum : --
condiments / relishes : 0.100000.50000
confectionery froastings : 0.200001.00000
egg products : --
fats / oils : 0.100000.50000
fish products : 0.100000.20000
frozen dairy : 0.200001.00000
fruit ices : 0.200001.00000
gelatins / puddings : --
granulated sugar : --
gravies : 0.400002.00000
hard candy : --
imitation dairy : 0.200001.00000
instant coffee / tea : --
jams / jellies : --
meat products : 0.100000.20000
milk products : 0.200001.00000
nut products : --
other grains : 0.100000.50000
poultry : 0.100000.20000
processed fruits : 0.200001.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.100000.50000
snack foods : 0.100000.50000
soft candy : --
soups : 0.100000.50000
sugar substitutes : --
sweet sauces : 0.100000.50000

safety links :
(EINECS) number :203-805-7
rtecs :JO1925000 for 110-81-6
chemidplus :000110816
epa-srs :110-81-6
dtp/nci :8839
  

other :
 

references :
jecfa number :1699
fl. number :12.012
pubchem :151197
NIST Chemistry WebBook :500787689
  
reference : Luebke, William tgsc, (2006)¹
reference : Luebke, William tgsc, (2006)²
synonyms :
 diethyl disulfide
3,4-dithiahexane
 ethyl disulfanyl ethane
 ethyl disulfide
 ethyl dithioethane
soluble in :
 alcohol
 propylene glycol
 water, 300 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl-2-thiazoline
 allyl disulfide
 allyl mercaptan
 allyl methyl disulfide
 allyl methyl sulfide
 allyl methyl trisulfide
 allyl propyl disulfide
 allyl propyl sulfide
 allyl propyl trisulfide
 allyl sulfide
 allyl thiopropionate
isoamyl mercaptan
 asafetida absolute
 asafetida oil
 benzyl mercaptan
2,3-butane diol
1,3-butane dithiol
 butyl mercaptan
 coffee difuran
 cyclopentyl mercaptan
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 dicyclohexyl disulfide
 diethyl trisulfide
 diisopropyl sulfide
 diisopropyl trisulfide
 dimethyl disulfide
 dimethyl sulfide
 dimethyl sulfoxide
 dimethyl tetrasulfide
 dimethyl trisulfide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
 dipropyl disulfide
 dipropyl sulfide
 dipropyl trisulfide
1,4-dithiane
 ethyl 3-(furfuryl thio) propionate
 ethyl isothiocyanate
 ethyl methyl sulfide
 ethyl methyl trisulfide
 ethyl propyl disulfide
 ethyl propyl trisulfide
S-ethyl thioacetate
 ethyl vinyl ketone
 furfuryl methyl sulfide
 furfuryl thiopropionate
 garlic oil china
 garlic oleoresin
 heptyl mercaptan
 hexyl mercaptan
 meaty dithiane
1-para-menthene-8-thiol
3-mercapto-2-methyl pentanal
3-mercapto-2-methyl pentanol
3-mercapto-2-pentanone
(R*,S*)-2-mercapto-3-butanol
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl-3-furyl disulfide
 methyl 2-thiofuroate
 methyl 3-(methyl thio) propionate
 methyl 3-mercaptobutanoate
2-methyl 5-(methyl thio) furan
 methyl mercaptan
 methyl propyl disulfide
 methyl propyl trisulfide
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
S-(methyl thio) butyrate
3-(methyl thio) hexanol
bis(methyl thio) methane
2-(methyl thio) methyl-2-butenal
3-(methyl thio) propanol
1-(methyl thio)-2-butanone
 methyl thiomethyl butyrate
2-methyl-1-butanol
bis(2-methyl-3-furyl) disulfide
 onion oil
 onion oleoresin
 phenyl mercaptan
 propenyl propyl disulfide
isopropyl disulfide
 propyl mercaptan
isopropyl mercaptan
 propyl thioacetate
3-tetrahydrothiophenone
ortho-thiocresol
 thiophene
 tonka bean oleoresin
2,3,5-trithiahexane
(odor and/or flavor) used in :
 meat
 onion
natural occurrence in :
beef grilled beef
pork grilled pork



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