| Identification | |
| Name: | 2(1H)-Pyridinone,1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)- |
| Synonyms: | 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone;Piroctone;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one; |
| CAS: | 50650-76-5 |
| Molecular Formula: | C14H23NO2 |
| Molecular Weight: | 237.3379 |
| InChI: | InChI=1/C14H23NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5/h6,8,11,17H,7,9H2,1-5H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.029 |
| Refractive index: | 1.512 |
| Specification: |
The Piroctone, with the CAS registry number 50650-76-5, has the systematic name of 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one. And the molecular formula of the chemical is C14H23NO2. The characteristics of this chemical are as followings: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 317.04; (6)ACD/BCF (pH 7.4): 22.94; (7)ACD/KOC (pH 5.5): 2041.02; (8)ACD/KOC (pH 7.4): 147.71; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 69.3 cm3; (15)Molar Volume: 230.6 cm3; (16)Polarizability: 27.47×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.029 g/cm3; (19)Flash Point: 161.9 °C; (20)Enthalpy of Vaporization: 68.1 kJ/mol; (21)Boiling Point: 344.1 °C at 760 mmHg; (22)Vapour Pressure: 4.31E-06 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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