| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 04:16:11 UTC |
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| Update Date | 2016-11-09 01:15:34 UTC |
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| Accession Number | CHEM017356 |
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| Identification |
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| Common Name | Hymexazol |
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| Class | Small Molecule |
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| Description | A member of the class of isoxazoles carrying hydroxy and methyl substituents at positions 3 and 5 respectively. It is used worldwide as a systemic soil and seed fungicide for the control of diseases caused by Fusarium, Aphanomyces, Pythium, and Corticium spp. in rice, sugarbeet, fodderbeet, vegetables, cucurbits, and ornamentals. |
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| Contaminant Sources | - STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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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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| 3-Hydroxy-5-methylisoxazole | ChEBI | | 5-Methyl-3(2H)-isoxazolone | ChEBI | | 5-Methyl-3-hydroxyisoxazole | ChEBI | | 5-Methylisoxazol-3-ol | ChEBI | | F 319 | ChEBI | | F-319 | ChEBI | | Hydroxyisoxazole | ChEBI | | Hymexazole | ChEBI | | NSC 217971 | ChEBI | | SF-6505 | ChEBI | | Bucide calcium | MeSH | | Bucide monosodium | MeSH | | Bucide potassium | MeSH | | Bucide | MeSH |
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| Chemical Formula | C4H5NO2 |
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| Average Molecular Mass | 99.089 g/mol |
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| Monoisotopic Mass | 99.032 g/mol |
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| CAS Registry Number | 10004-44-1 |
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| IUPAC Name | 5-methyl-1,2-oxazol-3-ol |
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| Traditional Name | 3-hydroxy-5-methylisoxazole |
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| SMILES | CC1=CC(O)=NO1 |
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| InChI Identifier | InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6) |
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| InChI Key | KGVPNLBXJKTABS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azoles |
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| Sub Class | Isoxazoles |
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| Direct Parent | Isoxazoles |
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| Alternative Parents | |
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| Substituents | - Heteroaromatic compound
- Isoxazole
- Lactam
- Oxacycle
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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 | splash10-0udi-0900000000-1d84afd8443752800a27 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0900000000-da4fddd614aa1baed07f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gb9-9000000000-865b204061e62cf1f856 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-cfdb2fdaf779a7a3d716 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-d217d1605abe41d584b3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-9000000000-9f05a9afcd5a0119f14e | 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 | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 5827 |
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| PubChem Compound ID | 24781 |
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| Kegg Compound ID | C11103 |
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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 | |
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