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| IUPAC name : | methyldisulfanyl-methylsulfanylmethane |
| InChI : | InChI=1/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3 |
| InChIKey : | MYIOBINSHMEDEY-UHFFFAOYAH |
| SMILES : | CSCSSC |
| cas number : | 42474-44-2 |
| fema number : | 4021 |
| coe number : | 12198 |
| jecfa number : | 1299 |
| fl. number : | 12.198 |
| molar refractivity : | 39.93 ± 0.3 cm3 |
| parachor : | 303.4 ± 4.0 cm3 |
| index of refraction : | 1.580 ± 0.02 |
| surface tension : | 40.9 ± 3.0 dyne/cm |
| density : | 1.169 ± 0.06 g/cm3 |
| polarizability : | 15.83 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 140.2906200 |
| formula : | C3 H8 S3 |
| BioActivity Analysis : | 531089 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | strong sulfureous onion |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.15700 - 1.16300 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.627 to 9.677
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| refractive index : | 1.43600 - 1.44400 @ 20.00 °C.
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| boiling point : | 56.00 - 58.00 °C. @ 8.00 mm Hg
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| boiling point : | 182.00 - 183.00 °C. @ 760.00 mm Hg
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| logp : | 2.42 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 145.00 °F. TCC ( 62.78 °C. )
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| recommendation for 2,3,5-trithiahexane usage levels up to : |
| | not for fragrance use.
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| 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 : 20. Updated in publication number(s) : 21 |
| 4021 | average usual ppm | average maximum ppm |
| baked goods : | 2.00000 | 10.00000 |
| beverages(nonalcoholic) : | 0.10000 | 0.80000 |
| beverages(alcoholic) : | 0.30000 | 2.00000 |
| breakfast cereal : | - | - |
| cheese : | 0.10000 | 0.20000 |
| chewing gum : | 2.00000 | 10.00000 |
| condiments / relishes : | 0.10000 | 0.20000 |
| confectionery froastings : | 0.30000 | 2.00000 |
| egg products : | 0.30000 | 2.00000 |
| fats / oils : | 0.30000 | 2.00000 |
| fish products : | 0.10000 | 0.20000 |
| frozen dairy : | 0.50000 | 6.00000 |
| fruit ices : | 0.20000 | 1.00000 |
| gelatins / puddings : | 0.20000 | 1.00000 |
| granulated sugar : | - | - |
| gravies : | 0.30000 | 2.00000 |
| hard candy : | 0.50000 | 2.00000 |
| imitation dairy : | 0.10000 | 0.20000 |
| instant coffee / tea : | 0.10000 | 0.80000 |
| jams / jellies : | 0.50000 | 3.00000 |
| meat products : | 0.40000 | 5.00000 |
| milk products : | 0.20000 | 1.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.50000 | 5.00000 |
| snack foods : | 0.50000 | 3.00000 |
| soft candy : | 0.50000 | 3.00000 |
| soups : | 0.10000 | 1.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| chemidplus : | 042474442 |
| epa-srs : | 42474-44-2 |
| dtp/nci : | 710988 |
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| other : | |
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| references : | |
| jecfa number : | 1299 |
| fl. number : | 12.198 |
| pubchem : | 670214 |
| NIST Chemistry WebBook : | 214723098 |
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