Articles:
S-methyl methanethiosulfonate
Notes:
Isol. from cauliflower (Brassica oleracea var. botrytis). Detected in the aroma of caucas (Allium victorialis). Antimutagenic agent
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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): 13-54800 METHYL METHANETHIOLSULFONATE
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): M1382 S-Methyl Methanethiosulfonate >97.0%(GC)
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| CAS Number: | 2949-92-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 220-970-0 | |
| FDA UNII: | 0906Z2356U | |
| Nikkaji Web: | J149.996C | |
| Beilstein Number: | 1446059 | |
| MDL: | MFCD00007565 | |
| CoE Number: | 11520 | |
| XlogP: | 0.30 (est) | |
| Molecular Weight: | 126.19822000 | |
| Formula: | C2 H6 O2 S2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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 |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 12.159 S-methyl methanethiosulfonate |
Physical Properties:
| Appearance: | pale yellow to yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.31500 to 1.32100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 10.942 to 10.992 |
| Refractive Index: | 1.50700 to 1.51300 @ 20.00 °C. |
| Boiling Point: | 266.00 to 267.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 69.00 to 71.00 °C. @ 0.40 mm Hg |
| Vapor Pressure: | 0.014000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 188.00 °F. TCC ( 86.67 °C. ) |
| logP (o/w): | 0.247 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 5.333e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous pungent roasted | |
| Odor Description: at 0.10 % in propylene glycol. | sulfurous pungent roasted |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Methyl Methanethiosulfonate |
| Penta International |
| METHYL METHANETHIOLSULFONATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Methyl Methanethiosulfonate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| S-Methyl methanethiosulfonate 97% |
| TCI AMERICA |
| For experimental / research use only. |
| S-Methyl Methanethiosulfonate >97.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| 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: | |
|
intraperitoneal-mouse LD50 9110 ug/kg Toxicology and Applied Pharmacology. Vol. 72, Pg. 513, 1984. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for methyl methane thiosulfonate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 160 (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.40000 | 2.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf | |
| 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 | |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf | |
| Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 2949-92-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 18064 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3334 |
| WGK Germany: | 2 |
| methylsulfonylsulfanylmethane | |
| Chemidplus: | 0002949920 |
| RTECS: | PB2765000 for cas# 2949-92-0 |
References:
| methylsulfonylsulfanylmethane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 18064 |
| Pubchem (sid): | 134982450 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31832 |
| FooDB: | FDB008510 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| coffee | ||
| coffee | ||
| coffee difuran | FL/FR | |
| furfuryl mercaptan | FL/FR | |
| cocoa essence | FL/FR | |
| ethyl 3-mercaptobutyrate | FL/FR | |
| furfuryl thioacetate | FL/FR | |
| For Flavor | ||
| No flavor group found for these | ||
| 1,2- | butane dithiol | FL |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofuran thiol | FL |
| (Z+E)-2,5- | dimethyl-3-thioacetoxytetrahydrofuran | FL |
| ethyl 3-mercaptobutyrate | FL/FR | |
| methyl dihydrofuran thiol | FL | |
| alliaceous | ||
| 1,3- | butane dithiol | FL |
| chocolate | ||
| cocoa essence | FL/FR | |
| coffee | ||
| coffee difuran | FL/FR | |
| furfuryl mercaptan | FL/FR | |
| methyl furfuryl thiol | FL | |
| meaty | ||
| (R,S)-2- | mercapto-3-butanol | FL |
| bis(2- | methyl-3-furyl) disulfide | FL |
| S-(2- | methyl-3-furyl) ethane thioate | FL |
| 2- | methyl-3-thioacetoxytetrahydrofuran | FL |
| phenolic | ||
| 2- | ethyl benzene thiol | FL |
| roasted | ||
| furfuryl thioacetate | FL/FR | |
Potential Uses:
| meat | FL |
Occurrence (nature, food, other): note
| brassica oleracea Search Trop Picture |
Synonyms:
| methane sulfonothioic acid S-methyl ester | |
| methanesulfonic acid, thio-, S-methyl ester | |
| methanesulfonothioic acid, S-methyl ester | |
| methanethiosulfonic acid S-methyl ester | |
| methanethiosulfonic acid, S-methyl ester | |
| methyl methane sulfonothioate | |
| methyl methane thiol sulfonate | |
| S- | methyl methanesulfonothioate |
| S- | methyl methanethiolsulfonate |
| S- | methyl methanethiosulfonate |
| S- | methyl methanethiosulphonate |
| S- | methyl thiomethanesulfonate |
| methylsulfonylsulfanylmethane |