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CAS No.: | 61892-95-3 |
---|---|
Name: | 5-Methyl-2-pyrazinemethanol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H8N2O |
Molecular Weight: | 124.142 |
Synonyms: | Pyrazinemethanol, 5-methyl- (9CI);2-Hydroxymethyl-5-methylpyrazine;5-Methyl-2-pyrazinemethanol;5-Methyl-2-pyrazinylmethanol;5-Methylpyrazinemethanol; |
Density: | 1.171 g/cm3 |
Melting Point: | 47-48 °C |
Boiling Point: | 235.7 °C at 760 mmHg |
Flash Point: | 96.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 46.01000 |
LogP: | 0.27730 |
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This chemical is called 2-Pyrazinemethanol, 5-methyl-, and its CAS registry number is 124.14. With the molecular formula of C6H8N2O, its molecular weight is 124.14.
Other characteristics of the 2-Pyrazinemethanol, 5-methyl- can be summarised as followings: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.78; (8)ACD/KOC (pH 7.4): 6.78; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 33.71 cm3; (15)Molar Volume: 105.9 cm3; (16)Polarizability: 13.36×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.171 g/cm3; (19)Flash Point: 96.3 °C; (20)Enthalpy of Vaporization: 49.93 kJ/mol; (21)Boiling Point: 235.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0272 mmHg at 25°C.
Production method of this chemical: The 2-Pyrazinemethanol, 5-methyl- could be obtained by the reactant of 2-acetoxymethyl-5-methyl-pyrazine. This reaction needs the reagent of aqueous NaOH.
Uses of this chemical: The 2-Pyrazinemethanol, 5-methyl- could react with 2,2-dimethyl-6-[4-(4-phenyl-butyl)-phenoxy]-hexanoic acid, and obtain the 2,2-dimethyl-6-[4-(4-phenyl-butyl)-phenoxy]-hexanoic acid 5-methyl-pyrazin-2-ylmethyl ester. This reaction needs the reagent of DCC, and the solvent of CH2Cl2. The yield is 40 %. In addition, this reaction should be taken at -5 °C.
You can still convert the following datas into molecular structure:
1.SMILES: OCc1ncc(nc1)C
2.InChI: InChI=1/C6H8N2O/c1-5-2-8-6(4-9)3-7-5/h2-3,9H,4H2,1H3
3.InChIKey: QYANNJBVADZUDN-UHFFFAOYAM