PROPIOIN

This chemical is called 3-Hexanone, 4-hydroxy-, and its systematic name is 4-hydroxyhexan-3-one. With the molecular formula of C₆H₁₂O₂, its molecular weight is 116.16. The CAS registry number of the chemical is 4984-85-4. In addition, this chemical should be sealed in the ventilate and dry place at commom temperature, away from the light.

Other characteristics of 3-Hexanone, 4-hydroxy- can be summarised as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 52.45; (8)ACD/KOC (pH 7.4): 52.45; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 31.36 cm³; (15)Molar Volume: 122.5 cm³; (16)Polarizability: 12.43×10^-24cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.947 g/cm³; (19)Flash Point: 59.3 °C; (20)Enthalpy of Vaporization: 46.58 kJ/mol; (21)Boiling Point: 163.5 °C at 760 mmHg; (22)Vapour Pressure: 0.701 mmHg at 25°C.

Production method of this chemical: The 3-Hexanone, 4-hydroxy- could be obtained by the reactant of Propionaldehyde. This reaction needs the reagent of 1,3-Dimethylbenzimidazolium iodide, 1,8-Diazabicyclo<5.4.0>-7-undecene, and the solvent of Dioxane. The yield is 75 %. In addition, this reaction should be taken for 3 hours at heated condition.



Uses of this chemical: The 3-Hexanone, 4-hydroxy- could react with Bromomethyl-benzene, and obtain the 4-Benzyl-4-hydroxy-hexan-3-one. This reaction needs the reagent of NaOH, and the solvent of H₂O and Dimethylsulfoxide. The yield is 64 %.



When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(CC)C(O)CC
2.InChI: InChI=1/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
3.InChIKey: SKCYVGUCBRYGTE-UHFFFAOYAP
4.Std. InChI: InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
5.Std. InChIKey: SKCYVGUCBRYGTE-UHFFFAOYSA-N