| Identification | |
| Name: | 1,3-Propanediol,2-ethyl- |
| Synonyms: | 1,1-Dimethylolpropane;2-Ethyl-1,3-propanediol;2-Ethylpropan-1,3-diol; |
| CAS: | 2612-29-5 |
| EINECS: | 220-038-3 |
| Molecular Formula: | C5H12O2 |
| Molecular Weight: | 104.14758 |
| InChI: | InChI=1/C5H12O2/c1-2-5(3-6)4-7/h5-7H,2-4H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.978g/cm3 |
| Specification: |
The 2-Ethylpropane-1,3-diol, with the CAS registry number 2612-29-5 and EINECS registry number 220-038-3, is also called Dimethylolpropane. And the molecular formula of the chemical is C5H12O2. The characteristics of this chemical are as followings: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.47; (8)ACD/KOC (pH 7.4): 19.47; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 28.24 cm3; (15)Molar Volume: 106.4 cm3; (16)Polarizability: 11.19×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 0.978 g/cm3; (19)Flash Point: 105.3 °C; (20)Enthalpy of Vaporization: 53.29 kJ/mol; (21)Boiling Point: 221.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0215 mmHg at 25°C. Preparation of 2-Ethylpropane-1,3-diol: This chemical can be prepared by pethylmalonic acid diethyl ester. The reaction will need reagent LiAlH4, and the menstruum diethyl ether. The reaction time is 1.5 hours with ambient temperature, and the yield is about 80%. Uses of 2-Ethylpropane-1,3-diol: It can react with benzaldehyde to produce 5-ethyl-2-phenyl-[1,3]dioxane. This reaction will need reagent TsOH, and the yield is about 94%. Addtionally, the following datas could be converted into the molecular structure: |
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