dimethyl trisulfide
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IUPAC name :methylsulfanyldisulfanylmethane
InChI :InChI=1/C2H6S3/c1-3-5-4-2/h1-2H3
InChIKey :YWHLKYXPLRWGSE-UHFFFAOYAF
SMILES :CSSSC
cas number :3658-80-8
(EINECS) number :222-910-9
beilstein number :1731604
fema number :3275
coe number :539
jecfa number :582
fl. number :12.013
molar refractivity :35.30 ± 0.3 cm3
parachor :263.6 ± 4.0 cm3
index of refraction :1.598 ± 0.02
surface tension :42.2 ± 3.0 dyne/cm
density :1.220 ± 0.06 g/cm3
polarizability :13.99 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 126.2640400 (IUPAC)
formula :C2 H6 S3
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Frutarom :DIMETHYL TRISULPHIDE
≥98.00%, NI, Kosher
Odor:  Alliaceous, Etheral, Fresh, Green, Onion
Suggested Uses: Coffee, Garlic, Onion, Savoury, Vegetables
Penta :dimethyl trisulfide
SAFC Global® :Dimethyl trisulfide
≥98%, Kosher, FG
Odor:  meaty; alliaceous (onion, garlic).

organoleptics :
odor type :alliaceous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  
sulfurous cooked onion savory meaty
odor description:
Sulfureous, alliaceous, cooked, savory, meaty, eggy and vegetative with a fresh, green, onion topnote
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
taste description:
at 2.00 ppm.  
Sulfureous, alliaceous, gassy, savory and meaty with a fresh, vegetative nuance
Mosciano, Gerard P&F 20, No. 5, 49, (1995)

properties :
appearence :pale yellow clear oily liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.19520 to 1.21000 @ 20.00 °C.
pounds per gallon - calc. : 9.957 to 10.080
refractive index :1.59500 to 1.60500 @ 20.00 °C.
melting point : -68.00 °C. @ 760.00 mm Hg
boiling point : 165.00 to 170.00 °C. @ 760.00 mm Hg
boiling point : 41.00 °C. @ 6.00 mm Hg
vapor density :4.3 ( Air = 1 )
flash point : 125.00  °F.  TCC  ( 51.67 °C. )
logP (o/w) : 2.93

safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
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 :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.10 (μg/capita/day)
 
recommendation for dimethyl trisulfide flavor usage levels up to :
  2.0000 ppm in the flavor.

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
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
methylsulfanyldisulfanylmethane
(EINECS) number :222-910-9
chemidplus :003658808
EPA Substance Registry Services :3658-80-8
dtp/nci :97324

references :
 
methylsulfanyldisulfanylmethane
fl. number :12.013
jecfa number :582
NIST Chemistry WebBook :3635343511
pubchem :162244
Flavornet :3658-80-8

other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
1,3-dimethyl trisulfane
 methyl trisulfide
 methyl trithiomethane
 methylsulfanyldisulfanylmethane
 methyltrithiomethane
2,3,4-trithiapentane

soluble in :
 alcohol
 oils
 propylene glycol
 water, very slightly

insoluble in :
 water

potential blenders :    note
2-acetyl-2-thiazolineFL
 allyl sulfideFL
 asafetida oilFL/FR
 benzyl methyl sulfideFL
1,3-butane dithiolFL
 butyl mercaptanFL
 coffee difuranFL
 cyclamen aldehydeFL/FR
 cyclamen propanalFR
2-cyclohexyl cyclohexanoneCS
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
2,5-dihydroxy-1,4-dithianeFL
 dimethyl sulfideFL
4,5-dimethyl thiazoleFL
6,8-dimethyl-2-nonanolFR
 fish thiolFL
 heptyl mercaptanFL
 hyacinth acetalFL/FR
 leerallFR
 meaty dithianeFL
1-para-menthene-8-thiolFL/FR
3-mercapto-2-methyl pentanalFL
3-mercapto-2-methyl pentanolFL
2-methyl 5-(methyl thio) furanFL
4-methyl nonanoic acidFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
3-(methyl thio) hexanolFL
3-(methyl thio) propanolFL
2-methyl-1,3-dithiolaneFL
2-methyl-3-tetrahydrofuran thiolFL
 ocean propanalFL/FR
2,4-octadien-1-olFL/FR
 onion oilFL
isopropyl mercaptanFL
 propylene glycol dibenzoateCS
 pyrrolidineFL
 satinaldehydeFL/FR
3-tetrahydrothiophenoneFL
ortho-thiocresolFL
2,3,5-trithiahexaneFL

potential uses :
 beef
 cheese
 chicken
 coffee
 egg
 garlic
 milk
 nut filbert
 onion
 tomato

natural occurrence in :    note
 asparagus S
 beef  
data pageblood orange oil italy @ 6.70% S
 cheese  
 chicken  
PbMdcoffee  
 filbert  
 milk  
 onion S
PbMdrice cakes  
 shrimp  
 strawberry S
 tea black tea  
 tomato  
 wine white wine  

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