Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol |
EINECS | N/A |
CAS No. | 157169-71-6 | Density | 1.122 g/cm3 |
PSA | 46.26000 | LogP | 2.49320 |
Solubility | N/A | Melting Point |
61 °C |
Formula | C13H15NO2 | Boiling Point | 374.892 °C at 760 mmHg |
Molecular Weight | 217.268 | Flash Point | 180.528 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[5-Methyl-2-(4-methylphenyl)oxazol-4-yl]ethanol;2-[5-Methyl-2-(p-tolyl)oxazol-4-yl]ethanol; |
Article Data | 8 |
The CAS registry number of 4-Oxazoleethanol,5-methyl-2-(4-methylphenyl)- is 157169-71-6. The systematic name is 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol. In addition, the molecular formula is C13H15NO2 and the molecular weight is 217.26. What's more, it should be stored in sealed container, and put in a cool and dry place.
Other characteristics of the 4-Oxazoleethanol,5-methyl-2-(4-methylphenyl)- can be summarised as followings: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 41; (6)ACD/BCF (pH 7.4): 41; (7)ACD/KOC (pH 5.5): 494; (8)ACD/KOC (pH 7.4): 494; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 61.97 cm3; (15)Molar Volume: 193.61 cm3; (16)Polarizability: 24.567×10-24cm3; (17)Surface Tension: 43.553 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 180.528 °C; (20)Enthalpy of Vaporization: 65.652 kJ/mol; (21)Boiling Point: 374.892 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(oc1c2ccc(cc2)C)C)CCO
(2)InChI: InChI=1/C13H15NO2/c1-9-3-5-11(6-4-9)13-14-12(7-8-15)10(2)16-13/h3-6,15H,7-8H2,1-2H3
(3)InChIKey: WTABRJGSWMZKOR-UHFFFAOYAV