Articles:
methyldisulfanyl-methylsulfanylmethane
Notes:
Found in essential oil of hops and in Camembert cheeses, cooked cabbage, broccoli and cauliflower
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 20-85550 2,3,5-TRITHIAHEXANE
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| CAS Number: | 42474-44-2 |  3D/inchi
|
| FDA UNII: | OSU2L4337E | |
| Nikkaji Web: | J127.428G | |
| CoE Number: | 12198 | |
| XlogP3-AA: | 1.70 (est) | |
| Molecular Weight: | 140.29176000 | |
| Formula: | C3 H8 S3 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register to be changed to 42474-44-2. | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| JECFA Food Flavoring: | 1299 2,3,5-trithiahexane |
| DG SANTE Food Flavourings: | 12.198 2,3,5-trithiahexane |
| FEMA Number: | 4021 2,3,5-trithiahexane |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 42474-44-2 ; METHYL (METHYLTHIO)METHYL DISULFIDE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.15700 to 1.16300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.627 to 9.677 |
| Refractive Index: | 1.43600 to 1.44400 @ 20.00 °C. |
| Boiling Point: | 56.00 to 58.00 °C. @ 8.00 mm Hg |
| Boiling Point: | 182.00 to 183.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.120000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 145.00 °F. TCC ( 62.78 °C. ) |
| logP (o/w): | 2.586 (est) |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| tracetin | |
| water, 1770 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous onion | |
| Odor Description: at 0.10 % in propylene glycol. | strong sulfurous onion |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| DeLong Chemicals America |
| 2,3,5-Trithiahexane, Kosher |
| Parchem |
| 2,3,5-trithiahexane |
| Penta International |
| 2,3,5-TRITHIAHEXANE |
Safety Information:
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 2,3,5-trithiahexane usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.001 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.04 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 348 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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 Flavor Ingredient Library | |||
| publication number: 20. Update in publication number(s): 21 | |||
| Click here to view publication 20 | |||
| 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: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.60000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.04000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.50000 | 2.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 0.20000 | 1.50000 | |
| Confectionery (05.0): | 0.75000 | 2.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.62000 | 1.00000 | |
| Bakery wares (07.0): | 0.80000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.73000 | 1.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 1.00000 | |
| Eggs and egg products (10.0): | 0.08000 | 1.00000 | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.45000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.50000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.10000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.10000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 74, Revision 1 (FGE.74Rev1): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 74, Revision 2 (FGE.74Rev2): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev3 (2011) View page or View pdf | |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 74, Revision 4 (FGE.74Rev4): Consideration of aliphatic sulphides and thiols evaluated by JECFA (53rd and 61st meeting) structurally related to aliphatic and alicyclic mono-, di-, tri- and polysulphides with or without additional oxygenated functional groups from chemical group 20 evaluated by EFSA in FGE.08Rev5 View page or View pdf | |
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 93236 |
| National Institute of Allergy and Infectious Diseases: | Data |
| methyldisulfanyl-methylsulfanylmethane | |
| Chemidplus: | 0042474442 |
References:
| methyldisulfanyl-methylsulfanylmethane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 93236 |
| Pubchem (sid): | 135049810 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31875 |
| FooDB: | FDB008560 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| garlic | FL | |
| onion | FL |
Occurrence (nature, food, other): note
| broccoli Search Trop Picture | |
| cabbage cooked cabbage Search Trop Picture | |
| cauliflower Search Trop Picture | |
| cheese camembert cheese Search PMC Picture | |
| hop oil Search Trop Picture |
Synonyms:
| disulfide, methyl (methylthio)methyl | |
| ethyl methyl thiomethyl disulfide | |
| methyl (methylsulfanyl)methyl disulfide | |
| methyl (methylthio)methyl disulfide | |
| ( | methyl disulfanyl)(methyl sulfanyl) methane |
| methyl methylthiomethyl disulfide | |
| methyl(methyl thio) methyl disulfide | |
| methyldisulfanyl-methylsulfanylmethane | |
| ( | methyldisulfanyl)(methylsulfanyl)methane |
| ( | methyldithio)(methylthio)methane |