HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 289575Generated: October 23, 2026
3,5-Dimethyl-4-(hydroxymethyl)isoxazole
AKOS PAO-1564 · BUTTPARK 97\06-59 · RARECHEM AL BD 0516 · 3,5-Dimethyl-4-isoxazolemethanol · 3,5-Dimethylisoxazole-4-methanol · 4-Isoxazolemethanol, 3,5-dimethyl- · (3,5-Dimethylisoxazol-4-yl)methanol · (3,5-Dimethyl-4-isoxazolyl)methanol
https://huagongshe.com/en/chemical/289575
Identifiers & Physical Properties
| CAS No. | 19788-36-4 |
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| Molecular formula | C6H9NO2 |
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| Average molar mass | 127.14 g/mol |
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| Monoisotopic mass | 127.06332853 g/mol |
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| SMILES | Cc1noc(C)c1CO |
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| InChIKey | JISPGFYJPXGNBY-UHFFFAOYSA-N |
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| PubChem CID | 289575 |
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| EC No. | 675-576-5 |
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| DTXSID | DTXSID80302519 |
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Chemical & Physical Properties
| XLogP | 0.3 |
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| Topological polar surface area | 46.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 97.1 |
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| Melting point | 76 °C |
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| Boiling point | 96-97 |
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| Density | 1.137±0.06 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Store in freezer, under -20°C |
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| Physical state | solid |
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| pKa (acidity coefficient) | 13.65±0.10(Predicted) |
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| Color | Off White |
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| Sensitivity | Light Sensitive |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26-36/37/39-24/25 |
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| Hazard class | IRRITANT |
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| Customs code | 2934999090 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Customs code | 2934999090 |
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| Risk statements (R) | 36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 26-36/37/39-24/25 |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
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