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(3,5-Dimethyl-4-isoxazolyl)methanol

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Name

(3,5-Dimethyl-4-isoxazolyl)methanol

EINECS N/A
CAS No. 19788-36-4 Density 1.137 g/cm3
PSA 46.26000 LogP 0.78370
Solubility N/A Melting Point 76 °C
Formula C6H9NO2 Boiling Point 261.7 °C at 760 mmHg
Molecular Weight 127.143 Flash Point 112.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 19788-36-4 ((3,5-Dimethyl-4-isoxazolyl)methanol) Hazard Symbols IrritantXi
Synonyms

(3,5-Dimethylisoxazol-4-yl)methanol;NSC 151752;

Article Data 20

(3,5-Dimethyl-4-isoxazolyl)methanol Specification

The 4-Isoxazolemethanol,3,5-dimethyl-, with the CAS registry number 19788-36-4, is also known as (3,5-Dimethylisoxazol-4-yl)methanol. This chemical's molecular formula is C6H9NO2 and molecular weight is 127.14. What's more, its systematic name is called (3,5-Dimethyl-1,2-oxazol-4-yl)methanol.

Physical properties about 4-Isoxazolemethanol,3,5-dimethyl- are: (1) ACD/LogP: -0.18; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 35.26 Å2; (7) Index of Refraction: 1.497; (8) Molar Refractivity: 32.74 cm3; (9) Molar Volume: 111.8 cm3; (10) Surface Tension: 41.7 dyne/cm; (11) Density: 1.137 g/cm3; (12) Flash Point: 112.1 °C; (13) Enthalpy of Vaporization: 52.76 kJ/mol; (14) Boiling Point: 261.7 °C at 760 mmHg; (15) Vapour Pressure: 0.00577 mmHg at 25 °C; (16) Melting Point: 76 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1c(onc1C)C
(2) InChI: InChI=1/C6H9NO2/c1-4-6(3-8)5(2)9-7-4/h8H,3H2,1-2H3
(3) InChIKey: JISPGFYJPXGNBY-UHFFFAOYAL

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