Articles:
3-methyl-1,4-thiazane-5-carboxylic acid-1-oxide
Notes:
Constit. of onion (Allium cepa)
| CAS Number: | 455-41-4 |  3D/inchi
|
| Other(deleted CASRN): | 23652-75-7 | |
| FDA UNII: | WP7066JG47 | |
| XlogP3-AA: | -2.90 (est) | |
| Molecular Weight: | 177.22327000 | |
| Formula: | C6 H11 N O3 S | |
| 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: | 462.55 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 452.00 °F. TCC ( 233.50 °C. ) (est) |
| logP (o/w): | -1.279 (est) |
| Soluble in: | |
| water, 2.716e+005 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for cycloalliin usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for cycloalliin flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 193294 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (5S)-5-methyl-1-oxo-1,4-thiazinane-2-carboxylic acid | |
| Chemidplus: | 0000455414 |
References:
| (5S)-5-methyl-1-oxo-1,4-thiazinane-2-carboxylic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 193294 |
| Pubchem (sid): | 135258525 |
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 |
| HMDB (The Human Metabolome Database): | HMDB29417 |
| FooDB: | FDB000512 |
| 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 | |
| leek wild leek plant Search Trop Picture | |
| onion bulb Search Trop Picture |
Synonyms:
| cycloallin | |
| (5S)-5- | methyl-1-oxo-1,4-thiazinane-2-carboxylic acid |
| 3- | methyl-1,4-thiazane-5-carboxylic acid-1-oxide |
| 3- | thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide, (1S-(1a,3b,5b))- |
| 3- | thiomorpholinecarboxylic acid, 5-methyl-, 1-oxide, (1S-(1alpha,3beta,5beta))- |