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2,4,6-trimethyl-1,3,5-trithiane
General Material Information
| Preferred name | 2,4,6-trimethyl-1,3,5-trithiane |
| Trivial Name | trans-2,4,6-Trimethyl-1,3,5-trithiane |
| Short Description | 1,3,5-trithiane, 2,4,6-trimethyl- |
| Formula | C6 H12 S3 |
| CAS Number | 23769-39-3 |
| ECHA Number | 245-870-4 |
| FDA UNII | K8GLL4NEZI |
| Nikkaji Number | J242.673K |
| xLogP3-AA | 3.50 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
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| Perfumer & Flavorists | Start search |
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| NCBI | Start search |
Literature & References
| 2,4,6-trimethyl-1,3,5-trithiane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 17696 |
| Pubchem (sid): | 134982434 |
| Publications by PubMed | |
| Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane. | |
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): | HMDB31671 |
| FooDB: | FDB008331 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 180.35664367676 |
| Melting Point | 100 to 102°C @ 760 mm Hg |
| Boiling Point | 245 to 247°C @ 760 mm Hg |
| Vapor Pressure | 0.04 mmHg @ 25 °C |
| Flash Point TCC Value | 102.6 °C TCC |
| logP (o/w) | 3.546 est |
| Solubility | |
| water, 16.6 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, onion green onion, onion | |
| General comment | At 0.01 % in propylene glycol. sulfurous green onion |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Currant black currant |
Safety Information
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 2,4,6-trimethyl-1,3,5-trithiane usage levels up to: | |||
| not for fragrance 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 :17696 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2,4,6-trimethyl-1,3,5-trithiane |
| Chemidplus:0002765040 |