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CAS No.: | 92901-94-5 |
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Name: | (2,5-DIMETHYL-1,3-OXAZOL-4-YL)METHANOL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H9NO2 |
Molecular Weight: | 127.143 |
Synonyms: | 2,5-Dimethyl-4-(hydroxymethyl)-1,3-oxazole 97%; |
EINECS: | 200-258-5 |
Density: | 1.137 g/cm3 |
Melting Point: | 73 °C |
Boiling Point: | 222.012 °C at 760 mmHg |
Flash Point: | 88.07 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 46.26000 |
LogP: | 0.78370 |
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The 4-Oxazolemethanol,2,5-dimethyl-, with the CAS registry number 92901-94-5, is also known as 2,5-Dimethyl-4-(hydroxymethyl)-1,3-oxazole 97%. This chemical's molecular formula is C6H9NO2 and molecular weight is 127.14116. Its IUPAC name is called (2,5-dimethyl-1,3-oxazol-4-yl)methanol.
Physical properties of 4-Oxazolemethanol,2,5-dimethyl-: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): 0.057; (3)ACD/LogD (pH 7.4): 0.058; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.589; (7)ACD/KOC (pH 7.4): 25.61; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 32.745 cm3; (13)Molar Volume: 111.818 cm3; (14)Surface Tension: 41.748 dyne/cm; (15)Density: 1.137 g/cm3; (16)Flash Point: 88.07 °C; (17)Enthalpy of Vaporization: 48.459 kJ/mol; (18)Boiling Point: 222.012 °C at 760 mmHg; (19)Vapour Pressure: 0.06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(N=C(O1)C)CO
(2)InChI: InChI=1S/C6H9NO2/c1-4-6(3-8)7-5(2)9-4/h8H,3H2,1-2H3
(3)InChIKey: YURZVIJMKNBRIC-UHFFFAOYSA-N