Articles:
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methanesulfinic acid, thio-, S-methyl ester (6CI,7CI,8CI)
Notes:
a metabolite of s-methyl cysteine sulfoxide. Constit. of Allium spp.
| CAS Number: | 13882-12-7 |  3D/inchi
|
| Nikkaji Web: | J399.148B | |
| Beilstein Number: | 1738960 | |
| XlogP3-AA: | -0.10 (est) | |
| Molecular Weight: | 110.19902000 | |
| Formula: | C2 H6 O S2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 202.90 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.400000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 170.00 °F. TCC ( 76.50 °C. ) (est) |
| logP (o/w): | -0.300 (est) |
| Soluble in: | |
| water, 7.66e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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: | |
|
oral-mouse LDLo 55 mg/kg GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH GASTROINTESTINAL: OTHER CHANGES GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Food and Chemical Toxicology. Vol. 31, Pg. 491, 1993. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for S-methyl methanesulfinothioate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for S-methyl methanesulfinothioate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 95200 |
| National Institute of Allergy and Infectious Diseases: | Data |
| methylsulfinylsulfanylmethane | |
| Chemidplus: | 0013882127 |
References:
| methylsulfinylsulfanylmethane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 95200 |
| Pubchem (sid): | 135052677 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32739 |
| FooDB: | FDB010701 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| garlic bulb Search Trop Picture | |
| onion fruit juice Search Trop Picture |
Synonyms:
| dimethyl thiosulfinate | |
| methanesulfinic acid, thio-, S-methyl ester (6CI,7CI,8CI) | |
| methanesulfinothioic acid, S-methyl ester | |
| methyl methane sulfinothioate | |
| methyl methane thiosulphinate | |
| S- | methyl methanethiosulfinate |
| S- | methyl thiomethanesulfinate |
| methylsulfinylsulfanylmethane |