2-(DODECYLOXY)ETHANOL

The Ethanol, 2-(dodecyloxy)-, with the CAS registry number of 4536-30-5, is also known as Ethylene glycol dodecylether. It belongs to the product categories of Ether Type (Surfactants); Ethylene Glycols & Monofunctional Ethylene Glycols; Functional Materials; Monofunctional Ethylene Glycols; Nonionic Surfactants; Surfactants. Its EINECS registry number is 224-886-5. This chemical's molecular formula is C₁₄H₃₀O₂ and molecular weight is 230.39. What's more, its IUPAC name is 2-Dodecoxyethanol. This chemical's classification code is Mutation Data. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be avoided contact with light.

Physical properties about Ethanol, 2-(dodecyloxy)- are: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 4037.24; (6)ACD/BCF (pH 7.4): 4037.24; (7)ACD/KOC (pH 5.5): 13268.72; (8)ACD/KOC (pH 7.4): 13268.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 70.18 cm³; (15)Molar Volume: 263.4 cm³; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.874 g/cm³; (18)Flash Point: 74.9 °C; (19)Enthalpy of Vaporization: 63.18 kJ/mol; (20)Boiling Point: 304.4 °C at 760 mmHg; (21)Vapour Pressure: 8.35E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by Dodecyloxy-acetic acid methyl ester by heating. The reaction needs reagent LAH and solvent Tetrahydrofuran. The reaction time is 3 hours. The yield is about 100 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Formic acid 2-dodecyloxy-ethyl ester. This reaction needs catalyst p-Toluenesulfonic acid. The reaction time is 4 hours with reaction temperature of 85 °C. The yield is about 95 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCOCCCCCCCCCCCC
(2) InChI: InChI=1/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3
(3) InChIKey: SFNALCNOMXIBKG-UHFFFAOYAD