Articles:
1,3-cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-
Notes:
None found
| CAS Number: | 335104-84-2 |  3D/inchi
|
| FDA UNII: | WA5UZ202KS | |
| Nikkaji Web: | J2.663.465B | |
| MDL: | MFCD11840613 | |
| XlogP3-AA: | 2.20 (est) | |
| Molecular Weight: | 440.82192960 | |
| Formula: | C17 H16 Cl F3 O6 S | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: herbicides / pesticides
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: | 612.86 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 616.00 °F. TCC ( 324.40 °C. ) (est) |
| logP (o/w): | 0.924 (est) |
| Soluble in: | |
| water, 4.654 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Sigma-Aldrich |
| For experimental / research use only. |
| Tembotrione PESTANAL®, analytical standard |
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: | herbicides / pesticides | ||
| Recommendation for tembotrione usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for tembotrione flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| European Food Safety Authority (EFSA) reference(s): | |
| Conclusion on the peer review of the pesticide risk assessment of the active substance tembotrione View page or View pdf | |
| Review of the existing maximum residue levels for tembotrione according to Article 12 of Regulation (EC) No 396/2005 View page or View pdf | |
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 11556911 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione | |
| Chemidplus: | 0335104842 |
References:
| 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11556911 |
| Pubchem (sid): | 135105508 |
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): | Search |
| ChemSpider: | View |
| Formulations/Preparations: •oil dispersion •composition: technical is greater than or equal to 94%. •premix partners: terbuthylazine; thiencarbazone-methyl •ae 0172747 herbicide (bayer cropscience lp.) 34.5% tembotrione •tembotrione technical (bayer cropscience lp.) 96.2% tembotrione •sc 547 herbicide (bayer cropscience lp.) 28.3% tembotrione, 5.6% thiencarbazone-methyl | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2-{2- | chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}-1,3-cyclohexanedione |
| 2-{2- | chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione |
| 1,3- | cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]- |