3-Methyl-4-isoxazolemethanol supplier

Name
(3-METHYL-ISOXAZOL-4-YL)-METHANOL
EINECS
CAS No. 100367-83-7
Density 1.184 g/cm³
Solubility
Melting Point
Formula C₅H₇NO₂
Boiling Point 247.198 °C at 760 mmHg
Molecular Weight 113.116
Flash Point 103.302 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-4-isoxazolemethanol;
PSA 46.26000
LogP 0.47530

3-Methyl-4-isoxazolemethanol Specification

The systematic name of 3-Methyl-4-isoxazolemethanol is (3-methyl-1,2-oxazol-4-yl)methanol. With the CAS registry number 100367-83-7, it is also named as 4-Isoxazolemethanol,3-methyl-. The product's molecular formula is C₅H₇NO₂ and its molecular weight is 113.11.

The other characteristics of 3-Methyl-4-isoxazolemethanol can be summarized as: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11; (6)ACD/KOC (pH 7.4): 11; (7)H bond acceptors: 3; (8)H bond donors: 1; (9)Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.26 Å²; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 27.92 cm³; (13)Molar Volume: 95.543 cm³; (14)Polarizability: 11.068×10^-24cm³; (15)Surface Tension: 44.369 dyne/cm; (16)Density: 1.184 g/cm³; (17)Flash Point: 103.302 °C; (18)Enthalpy of Vaporization: 51.18 kJ/mol; (19)Boiling Point: 247.198 °C at 760 mmHg; (20)Vapour Pressure: 0.014 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OCc1conc1C
(2)InChI:InChI=1/C5H7NO2/c1-4-5(2-7)3-8-6-4/h3,7H,2H2,1H3
(3)InChIKey:IKGIRSAMZDRLHN-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C5H7NO2/c1-4-5(2-7)3-8-6-4/h3,7H,2H2,1H3
(5)Std. InChIKey:IKGIRSAMZDRLHN-UHFFFAOYSA-N

Product Name

(3-METHYL-ISOXAZOL-4-YL)-METHANOL

3-Methyl-4-isoxazolemethanol Specification

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