diethyl trisulfide
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IUPAC name :ethylsulfanyldisulfanylethane
InChI :InChI=1/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3
InChIKey :OPMRTBDRQRSNDN-UHFFFAOYAB
SMILES :CCSSSCC
cas number :3600-24-6
(EINECS) number :222-754-1
fema number :4029
coe number :11451
jecfa number :1701
fl. number :12.114
molar refractivity :44.57 ± 0.3 cm3
parachor :343.2 ± 4.0 cm3
index of refraction :1.566 ± 0.02
surface tension :40.0 ± 3.0 dyne/cm
density :1.130 ± 0.06 g/cm3
polarizability :17.66 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 154.3172000
formula :C4 H10 S3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Frutarom :ETHYL TRISULPHIDE
≥95.00%, NI, Kosher
Odor:  Alliaceous, Garlic, Onion.
Penta :diethyl trisulfide

organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
garlic onion

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10100 to 1.11100 @ 20.00 °C.
pounds per gallon - calc. : 9.172 to 9.255
refractive index :1.56100 to 1.57100 @ 20.00 °C.
boiling point : 220.00 to 221.00 °C. @ 760.00 mm Hg
flash point : 160.00  °F.  TCC  ( 71.11 °C. )
logP (o/w) : 3.99

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for diethyl trisulfide 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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 21
 average usual ppmaverage maximum ppm
baked goods : 0.150000.30000
beverages(nonalcoholic) : 0.050000.10000
beverages(alcoholic) : 0.050000.10000
breakfast cereal : --
cheese : --
chewing gum : 0.400000.80000
condiments / relishes : 0.050000.10000
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.070000.15000
fruit ices : 0.050000.10000
gelatins / puddings : 0.050000.10000
granulated sugar : --
gravies : 0.050000.10000
hard candy : 0.100000.20000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.050000.10000
milk products : 0.050000.10000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : 0.050000.10000
soft candy : 0.070000.15000
soups : 0.050000.10000
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 ethylsulfanyldisulfanylethane
(EINECS) number :222-754-1
chemidplus :003600246
EPA Substance Registry Services :3600-24-6
dtp/nci :97329

references :
 ethylsulfanyldisulfanylethane
fl. number :12.114
jecfa number :1701
NIST Chemistry WebBook :3875227895
pubchem :654220

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
1-ethyl trisulfanyl ethane
 ethyl trisulfide
 ethylsulfanyldisulfanylethane
3,4,5-trithiaheptane

soluble in :
 alcohol

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 disulfide
 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
 tonka bean oleoresin
2,3,5-trithiahexane

(odor and/or flavor) used in :
 garlic
 onion
 vegetable

natural occurrence in :
beef boiled beef
durian



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