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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 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Frutarom : | DIMETHYL TRISULPHIDE
≥98.00%, NI, Kosher Odor: Alliaceous, Etheral, Fresh, Green, Onion Suggested Uses: Coffee, Garlic, Onion, Savoury, Vegetables |
| Penta : | dimethyl trisulfide
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| SAFC Global® : | Dimethyl trisulfide
≥98%, Kosher, FG Odor: meaty; alliaceous (onion, garlic). |
organoleptics :
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| 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 :
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| appearence : | pale yellow clear oily liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.19520 to 1.21000 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.957 to 10.080
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| refractive index : | 1.59500 to 1.60500 @ 20.00 °C.
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| melting point : | -68.00 °C. @ 760.00 mm Hg
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| boiling point : | 165.00 to 170.00 °C. @ 760.00 mm Hg
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| boiling point : | 41.00 °C. @ 6.00 mm Hg
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| vapor density : | 4.3 ( Air = 1 ) |
| flash point : | 125.00 °F. TCC ( 51.67 °C. )
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| logP (o/w) : | 2.93 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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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.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.10 (μg/capita/day) |
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| recommendation for dimethyl trisulfide flavor usage levels up to : |
| | 2.0000 ppm in the flavor.
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safety references :
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| 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 |
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| WGK Germany : | 3 |
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| | methylsulfanyldisulfanylmethane |
| (EINECS) number : | 222-910-9 |
| chemidplus : | 003658808 |
| EPA Substance Registry Services : | 3658-80-8 |
| dtp/nci : | 97324 |
references :
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| | methylsulfanyldisulfanylmethane |
| fl. number : | 12.013 |
| jecfa number : | 582 |
| NIST Chemistry WebBook : | 3635343511 |
| pubchem : | 162244 |
| Flavornet : | 3658-80-8 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |