| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-06-03 10:06:25 UTC |
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| Update Date | 2016-11-09 01:22:47 UTC |
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| Accession Number | CHEM042698 |
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| Identification |
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| Common Name | Metofluthrin |
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| Class | Small Molecule |
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| Description | Metofluthrin is a pyrethroid used as an insect repellent. The vapors of metofluthrin are highly effective and capable of repelling up to 97% of mosquitoes in field tests. Metofluthrin is used in a variety of consumer products, called emanators, for indoor and outdoor use. These products produce a vapor that protects an individual or area. Effectiveness is reduced by air movement. Metofluthrin is neurotoxic, and is not meant to be applied directly to human skin.Although metofluthrin has insecticidal properties against the sand fly, Phlebotomus sergenti, it is not an effective repellent of this insect. |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (2,3,5,6-Tetrafluoro-4-methoxymethylphenyl)methyl-2,2-dimethyl-3-(1-propenyl)cyclopropanecarboxylate | MeSH | | [2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-[(1E)-prop-1-en-1-yl]cyclopropane-1-carboxylic acid | Generator |
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| Chemical Formula | C18H20F4O3 |
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| Average Molecular Mass | 360.349 g/mol |
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| Monoisotopic Mass | 360.135 g/mol |
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| CAS Registry Number | 240494-70-6 |
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| IUPAC Name | [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-[(1E)-prop-1-en-1-yl]cyclopropane-1-carboxylate |
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| Traditional Name | metofluthrin |
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| SMILES | [H]\C(C)=C(\[H])C1C(C(=O)OCC2=C(F)C(F)=C(COC)C(F)=C2F)C1(C)C |
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| InChI Identifier | InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3/b6-5+ |
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| InChI Key | KVIZNNVXXNFLMU-AATRIKPKSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzyloxycarbonyls |
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| Direct Parent | Benzyloxycarbonyls |
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| Alternative Parents | |
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| Substituents | - Benzyloxycarbonyl
- Benzylether
- Halobenzene
- Fluorobenzene
- Aryl fluoride
- Aryl halide
- Cyclopropanecarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Organic oxygen compound
- Organohalogen compound
- Organofluoride
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-08fr-1449000000-c365aa07906bfc5240bd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a6r-3982000000-97e3da8b52794254d46b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05r9-9810000000-ff732b4a198cc1d38cf1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0309000000-45e46423092be9a6644a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0pb9-0904000000-0ca27aeb44fb84aa8136 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-1910000000-fd79c7abaa24bbce1db5 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Metofluthrin |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 5282227 |
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| Kegg Compound ID | C13487 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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