dimethyl tetrasulfide
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IUPAC name :methyldisulfanyldisulfanylmethane
InChI :InChI=1/C2H6S4/c1-3-5-6-4-2/h1-2H3
InChIKey :NPNIZCVKXVRCHF-UHFFFAOYAF
SMILES :CSSSSC
cas number :5756-24-1
(EINECS) number :227-278-8
coe number :11459
fl. number :12.116
molar refractivity :43.30 ± 0.3 cm3
parachor :314.3 ± 4.0 cm3
index of refraction :1.659 ± 0.02
surface tension :51.3 ± 3.0 dyne/cm
density :1.348 ± 0.06 g/cm3
polarizability :17.16 ± 0.5 10-24cm3
XlogP : 2.10
molecular weight : 158.3290400 (IUPAC)
formula :C2 H6 S4
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :DIMETHYL TETRASULPHIDE
45% to 55%, NI, Kosher
Odor:  Alliaceous, Garlic, Meaty.
Penta :dimethyl tetrasulfide
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 meaty
properties :
appearence :yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.30300 to 1.30900 @ 25.00 °C.
pounds per gallon - calc. :10.842 to 10.892
refractive index :1.65800 to 1.66400 @ 20.00 °C.
vapor density :5.4 ( Air = 1 )
flash point : 163.00  °F.  TCC  ( 72.78 °C. )
logP (o/w) : 3.96
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.016 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :46 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for dimethyl tetrasulfide usage levels up to :
 not for fragrance use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.100000.50000
Edible ices, including sherbet and sorbet (03.0) : 0.200001.00000
Processed fruit (04.1) : 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.100000.50000
Bakery wares (07.0) : 0.200001.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.20000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0) : 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 0.200001.00000
Ready-to-eat savouries (15.0) : 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.100000.50000
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 methyldisulfanyldisulfanylmethane
(EINECS) number :227-278-8
chemidplus :005756241
EPA Substance Registry Services :5756-24-1
references :
 methyldisulfanyldisulfanylmethane
fl. number :12.116
NIST Chemistry WebBook :764748628
pubchem :656830
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 methyldisulfanyldisulfanylmethane
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
4-acetyl-2-methyl pyrimidine
 allyl mercaptan
 allyl methyl disulfide
 allyl methyl sulfide
 allyl methyl trisulfide
 allyl propyl disulfide
 allyl propyl sulfide
 allyl propyl trisulfide
 allyl thiopropionate
4-allyl-2,6-dimethoxyphenol
4-aminobutyric acid
 amyl mercaptan
 asafetida absolute
 bacon dithiazine
 benzothiazole
 benzyl mercaptan
1,2-butane dithiol
1,3-butane dithiol
2,3-butane dithiol
 butyl mercaptan
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 butyraldehyde
 coffee difuran
 cyclopentyl mercaptan
 cyclopropyl (E,Z)-2,6-nonadienamide
(E,E)-2,4-decadien-1-al
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 diethyl disulfide
2,5-diethyl thiazole
 diethyl trisulfide
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
 difurfuryl sulfide
2,5-dihydroxy-1,4-dithiane
 diisopropyl sulfide
 diisopropyl trisulfide
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,5-dimethyl furan
 dimethyl sulfoxide
2,6-dimethyl thiophenol
 dimethyl trisulfide
4,5-dimethyl-2-ethyl-3-thiazoline
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-dimethyl-3-furan thiol
bis(2,5-dimethyl-3-furyl) disulfide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
2,5-dimethyl-3-thiofuroyl furan
 dipropyl sulfide
 dipropyl trisulfide
1,4-dithiane
1,1-ethane dithiol 1% in ethanol
2-ethoxythiazole
 ethyl (E,Z)-2,6-nonadienamide
S-ethyl 2-acetyl aminoethane thioate
 ethyl 3-(furfuryl thio) propionate
 ethyl 3-mercaptopropionate
 ethyl 4-(acetyl thio) butyrate
 ethyl isothiocyanate
 ethyl methyl sulfide
 ethyl methyl trisulfide
 ethyl propyl disulfide
 ethyl propyl trisulfide
S-ethyl thioacetate
 ethyl vinyl ketone
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 furfuryl isopropyl sulfide
 furfuryl methyl sulfide
4-furfuryl thio-2-pentanone
 furfuryl thiopropionate
 hazelnut pyrazine
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
1,6-hexane dithiol
 hexyl mercaptan
 massoia bark oil
 meaty dithiane
1-para-menthene-8-thiol
4-mercapto-2-pentanone 1% in acetoin
(R*,S*)-2-mercapto-3-butanol
2-mercapto-3-pentanone
2-mercaptomethyl pyrazine
2-mercaptopropionic acid
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
 methyl 2-methyl-3-furyl disulfide
2-methyl 3-(methyl thio) furan 10% in triacetin
 methyl 3-(methyl thio) propionate
4-methyl 4-mercaptopentan-2-one 1% in pg
2-methyl 5-(methyl thio) furan
 methyl benzoxole
 methyl dihydrofuran thiol
 methyl mercaptan
4-methyl nonanoic acid
 methyl propyl disulfide
 methyl propyl trisulfide
2-methyl pyrazine
2-methyl thiazolidine
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
S-(methyl thio) butyrate
2-(methyl thio) ethanol
3-(methyl thio) hexanol
bis(methyl thio) methane
3-(methyl thio) propanol
1-(methyl thio)-2-butanone
12-methyl tridecanal
2-methyl-1-methyl thio-2-butene
3-methyl-2-butane thiol
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-furyl tetrasulfide
bis(2-methyl-3-furyl) disulfide
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
4-((2-methyl-3-furyl)thio)-5-nonanone
2-methyl-3-tetrahydrofuran thiol
2-naphthyl mercaptan
1,9-nonane dithiol
 nutty thiazole
1,8-octane dithiol
 peanut dithiazine
4-penten-1-yl acetate
1-phenethyl mercaptan
 phenyl mercaptan
1,3-propane dithiol
2-propionyl-2-thiazoline
 propyl 2-mercaptopropionate
 propyl 2-methyl-3-furyl disulfide
isopropyl disulfide
isopropyl mercaptan
 propyl thioacetate
 pyrazinyl ethane thiol
2-pyridinyl methane thiol
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
 roasted butanol
 rum ether
 sulfuryl acetate
3-tetrahydrothiophenone
 thialdine
3-thienyl mercaptan
1-(2-thienyl) butanone
ortho-thiocresol
 thioguaiacol
 tonka bean oleoresin
2,4,6-trithiaheptane 10% in triacetin
 tyramine
(odor and/or flavor) used in :
 garlic
 meat
 onion
natural occurrence in :
allium species
beef heated beef
beer - up to 0.001 mg/kg
data pageblood orange oil italy @ 0.50%
cocoa
hop oil
nira - 2.8 mg/kg



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