1-DOCOSANOL

The 1-Docosene is an organic compound with the formula C₂₂H₄₄. The IUPAC name of this chemical is Docos-1-ene. With the CAS registry number 1599-67-3, it is also named as N-Docosanol. Besides, it should be stored at 2 - 8°C.

Physical properties about 1-Docosene are: (1)ACD/LogP: 11.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.94; (4)ACD/LogD (pH 7.4): 11.94; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 19; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 103.69 cm³; (12)Molar Volume: 386.7 cm³; (13)Polarizability: 41.1×10^-24 cm³; (14)Surface Tension: 28.8 dyne/cm; (15)Density: 0.797 g/cm³; (16)Flash Point: 196.3 °C; (17)Enthalpy of Vaporization: 58.68 kJ/mol; (18)Boiling Point: 364.6 °C at 760 mmHg; (19)Vapour Pressure: 3.49E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2,2'-(3-Oxa-pentane-1,5-diyldioxy)-bis-ethanol. This reaction will need reagent NaOH/H₂O. The reaction time is 24 hours with reaction temperature of 100 °C. The yield is about 38%.

Uses of 1-Docosene: it can be used to produce 3-Bromo-1,1,1-trichloro-tricosane at temperature of 20 °C. This reaction is a kind of Kharasch reaction. It will need reagent Et₂NH, catalyst PdCl₂(PhCN)₂/dppf and solvent H₂O with reaction time of 2 hours. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
When you are using it, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
(2)InChIKey: SPURMHFLEKVAAS-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
(4)Std. InChIKey: SPURMHFLEKVAAS-UHFFFAOYSA-N