1,2,6-Hexanetriol

Details:

1. Introduction of 1,2,6-Hexanetriol (CAS NO.106-69-4)

1,2,6-Hexanetriol is a colorless transparent liquid chemical. The IUPAC name of 1,2,6-Hexanetriol is hexane-1,2,6-triol. 1,2,6-Hexanetriol belongs to Industrial/Fine Chemicals; Building Blocks; Chemical Synthesis; Organic Building Blocks; Oxygen Compounds; Polyols. Besides, the Classification Code of this chemical is Skin / Eye Irritant.

Our 1,2,6-Hexanetriol is on the purity of 98%~99%. It can be packaged in 25kg/plastic drum, 200Kg/iron drum. You should store it in sealed storage in shady and cool warehouse in 20 °C. Our Production Capacity is 100 Metric Ton per month. If you want to buy it, its min order is 1 kilogram. In addition, its price can be 1 USD/Kilogram. It can be shipped from dongguan port. We will send it in two days. We can accept the payment such as L/C, D/P, T/T, Westem Unoin, MoneyGram.

2. Basic information of 1,2,6-Hexanetriol (CAS NO.106-69-4)
1) Properties of 1,2,6-Hexanetriol

(1)ACD/LogP: -1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.65; (8)ACD/KOC (pH 7.4): 2.65; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.483; (13)Molar Refractivity: 34.4 cm³; (14)Molar Volume: 120.4 cm³; (15)Polarizability: 13.64×10^-24 cm³; (16)Surface Tension: 48.8 dyne/cm; (17)Enthalpy of Vaporization: 65.48 kJ/mol; (18)Vapour Pressure: 2.12E-05 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 134.094294; (21)MonoIsotopic Mass: 134.094294; (22)Topological Polar Surface Area: 60.7; (23)Heavy Atom Count: 9.

2) The following information could be converted into the structure:

(1)SMILES: OCCCCC(O)CO
(2)InChI: InChI=1/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
(3)InChIKey: InChIKey=ZWVMLYRJXORSEP-UHFFFAOYSA-N
(4)Canonical SMILES: C(CCO)CC(CO)O

3) Physical Properties of 1,2,6-Hexanetriol

Physical Property	Value	Units	Temp (deg C)	Source
log P (octanol-water)	-0.770	(none)		EST
Water Solubility	4.05E+05	mg/L	25	EST
Vapor Pressure	7.91E-05	mm Hg	25	EST
Henry's Law Constant	1.48E-08	atm-m3/mole	25	EST
Atmospheric OH Rate Constant	2.30E-11	cm3/molecule-sec	25	EST

4) Applications of 1,2,6-Hexanetriol

1,2,6-Hexanetriol reacts with isocyanatobenzene to get 1-O-(phenylcarbamoyl)-1,2,6-hexanetriol. This reaction needs reagent Zn naphthenate and solvent dimethylformamide. The reaction time is 1 hours. The yield is 80%. The detailed steps are showed as follows:



It is a Chemical Intermediates. 1,2,6-Hexanetriol has been used mainly in cosmetic. 1,2,6-Hexanetriol also has the effect in the production of alkyd resins, celluloid, polyurethane and synthetic rubber.

5) Production of 1,2,6-Hexanetriol

1,2,6-Hexanetriol can be got from acrolein dimer hydrolysis, hydrogenation. The purification method is let the dehydration condensation or decomposition of the impurities mixed, then it can be purified by distillation under reduced pressure.

6) Package & Storage of 1,2,6-Hexanetriol

(1) Packing information of 1,2,6-Hexanetriol could be seen in the following photo information.
(2) This chemical can also be packed according to the customer requirements and packaging specifications.