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3-Hydroxy-5-methylisoxazole
Dangerous GoodsCAS number：10004-44-1 molecular formula：C4H5NO2
overview
Specs
| Chinese alias | 噁霉灵 | ||
| English alias | Hymexazol [BSI:ISO] | Isoxazole, 3-hydroxy-5-methyl- | 20T2M875LO | 5-METHYL-3(2H)-ISOXAZOLONE | 5-methyl-2,3-dihydro-1,2-oxazol-3-one | 5-Methyl-isoxazol-3-one | 5-methylisoxazol-3-one | Butsid | F 319 | 3-Hydroxy-5-methylisoxazole | SF-6505 | STL313888 | ||
| CAS number | 10004-44-1 | molecular formula | C4H5NO2 |
| molecular weight | 99.09 g/mol | Exact mass | ≥90% |
| PSA | 38.300 Ų | logp | 0.100 |
numbering system
| CAS | 10004-44-1 |
| UNII | 20T2M875LO |
| KEGG ID | C11103 |
| ChEBI ID | 5827 |
| Wikidata | Q16512783 |
| ChEMBL ID | CHEMBL244877 |
| NSC Number | NSC Number: NSC217971 |
| PubChem CID | 24781 |
| Deprecated CAS | 52229-82-0 |
| Nikkaji Number | J3.115A |
| DSSTox Substance ID | DTXSID3032622 |
| Metabolomics Workbench ID | 67693 |
| European Community (EC) Number | 233-000-6 |
| PubChem Reference Collection SID | 505785310 |
physicochemical properties
| XLogP3 | XLogP3-AA: 0.1 |
| Complexity | 128 |
| Exact Mass | 99.032028402 |
| Pesticides | Environmental transformation -> Pesticides (parent, predecessor) |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Molecular Weight | 99.09 |
| Monoisotopic Mass | 99.032028402 |
| Isotope Atom Count | 0 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Rotatable Bond Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 38.3 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
EPA Ecotoxicity：
Pesticide Ecotoxicity Data from EPA: 43
RAIS Toxicity Values：
Oral Chronic Reference Dose Reference: OPP
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Hymexazol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information：
Chemical Assessment: IMAP assessments - 3(2H)-Isoxazolone, 5-methyl-: Environment tier I assessment
Hazard Classes and Categories：
Aquatic Chronic 2
EPA Human Health Benchmarks for Pesticides：
Reference (PDF): Human Health Benchmarks for Pesticides - 2021 Update
Production methods and uses
purpose
Uses：
EPA CPDat Chemical and Product Categories: cpdat
Use Classification：
Environmental transformation -> Pesticides (parent, predecessor)
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
10004-44-1 | 3-Hydroxy-5-methylisoxazole.pdf
