3-Hydroxy-5-methylisoxazole

C₄H₅NO₂CAS 10004-44-199.09 g/mol

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Properties

Molecular formula: C₄H₅NO₂
Molar mass: 99.09 g/mol
Exact mass: 99.0320 Da
Melting point: 86.5 °C
logP: 0.69Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H361d Suspected of damaging the unborn childReproductive toxicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-115-00-1), via PubChem.

Precautionary statements

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

10004-44-1

SMILES

Cc1cc(O)no1

InChIKey

KGVPNLBXJKTABS-UHFFFAOYSA-N

InChI

InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)

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Names and synonyms

16 names · show all

3(2H)-Isoxazolone, 5-methyl-
3-Isoxazolol, 5-methyl-
5-Methyl-3(2H)-isoxazolone
Tachigaren
5-Methyl-3-hydroxyisoxazole
Hymexazole
Hymexazol
F 319 (Fungicide)
Hydroxyisoxazole (pesticide)
Butsid
Bucid
Hydroxyisoxazole
F 319
NSC 217971
5-Methylisoxazol-3-ol
5-Methyl-1,2-oxazol-3-ol

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 10004-44-1. Each row opens the sheet with its composition and PDF.

3-Hydroxy-5-methylisoxazole ≤ 100 %Fisher Scientific · 2025-12-23

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Work with 3-Hydroxy-5-methylisoxazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethylisoxazole300-87-854 % similar (5-Methyl-1,2-oxazol-3-yl)methanol35166-33-748 % similar 3-Methyl-5-isoxazolecarboxylic acid3405-77-444 % similar 3-(Chloromethyl)-5-methyl-1,2-oxazole35166-37-143 % similar 5-Methyl-1,2-oxazole-3-carbaldehyde62254-74-443 % similar 5-Methylisoxazole-3-carbonyl chloride39499-34-839 % similar Methyl 5-methyl-3-isoxazolecarboxylate19788-35-337 % similar 6-Hydroxy-4-methyl-2-pyridone4664-16-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl cyanoacetate105-34-0 Succinimide123-56-8 1,3-Oxazol-4-ylmethanol155742-48-6 Methyl isocyanoacetate39687-95-1 Ethyl cyanoformate623-49-4

Elsewhere

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