5-Isoxazolemethanol,a,3-dimethyl- supplier

Name
5-Isoxazolemethanol, α,3-dimethyl-
EINECS
CAS No. 71502-43-7
Article Data7
CAS DataBase
Density 1.127 g/cm³
Solubility
Melting Point
Formula C₆H₉NO₂
Boiling Point 232.453 °C at 760 mmHg
Molecular Weight 127.143
Flash Point 94.385 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Methylisoxazol-5-yl)ethanol;
PSA 46.26000
LogP 1.03630

5-Isoxazolemethanol,a,3-dimethyl- Specification

The CAS registry number of 5-Isoxazolemethanol,a,3-dimethyl- is 71502-43-7. The IUPAC name is 1-(3-methylisoxazol-5-yl)ethanol. In addition, the formula is C₆H₉NO₂ and the molecular weight is 127.1412. It should be stored in a cool environment.

Physical properties about 5-Isoxazolemethanol,a,3-dimethyl- are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.419; (4)ACD/LogD (pH 7.4): 0.419; (5)ACD/BCF (pH 5.5): 1.225; (6)ACD/BCF (pH 7.4): 1.225; (7)ACD/KOC (pH 5.5): 40.251; (8)ACD/KOC (pH 7.4): 40.251; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.26 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 32.556 cm³; (15)Molar Volume: 112.798 cm³; (16)Polarizability: 12.906 ×10^-24cm³; (17)Surface Tension: 40.773 dyne/cm; (18)Density: 1.127 g/cm³; (19)Flash Point: 94.385 °C; (20)Enthalpy of Vaporization: 49.581 kJ/mol; (21)Boiling Point: 232.453 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(on1)C(C)O
(2)InChI: InChI=1/C6H9NO2/c1-4-3-6(5(2)8)9-7-4/h3,5,8H,1-2H3
(3)InChIKey: QLOCZOGQZFCJAZ-UHFFFAOYAV

Product Name

5-Isoxazolemethanol, α,3-dimethyl-

5-Isoxazolemethanol,a,3-dimethyl- Specification

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