| Identification | |
| Name: | 3-(3,5-Dimethylphenoxy)propane-1,2-diol |
| Synonyms: | 1,2-propanediol, 3-(3,5-dimethylphenoxy)-; |
| CAS: | 59365-66-1 |
| Molecular Formula: | C11H16O3 |
| Molecular Weight: | 196.24 |
| InChI: | InChI=1/C11H16O3/c1-8-3-9(2)5-11(4-8)14-7-10(13)6-12/h3-5,10,12-13H,6-7H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.125 g/cm3 |
| Refractive index: | 1.541 |
| Specification: |
The 3-(3,5-Dimethylphenoxy)propane-1,2-diol, with the CAS registry number 59365-66-1, is also called 1,2-propanediol, 3-(3,5-dimethylphenoxy)-. And the molecular formula of the chemical is C11H16O3. The characteristics of 3-(3,5-Dimethylphenoxy)propane-1,2-diol are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 54.87 cm3; (9)Molar Volume: 174.3 cm3; (10)Polarizability: 21.75×10-24cm3; (11)Surface Tension: 44.1 dyne/cm; (12)Density: 1.125 g/cm3; (13)Flash Point: 179.2 °C; (14)Enthalpy of Vaporization: 65.4 kJ/mol; (15)Boiling Point: 372.7 °C at 760 mmHg; (16)Vapour Pressure: 3.23E-06 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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