Basic information
- Name:
Ethanol, 2-(octyloxy)-
- CAS No.:
10020-43-6
- Molecular Structure:
- Formula:
- C10H22O2
- Molecular Weight:
- 174.28
- Synonyms:
- 1-(2-Hydroxyethoxy)octane;2-(Octyloxy)ethanol;Ethylene glycol mono-n-octyl ether;Ethylene glycolmonooctyl ether;Octyl cellosolve;2-(octyloxy)ethanol;Poly(oxy-1,2-ethanediyl), α-octyl-ω-hydroxy-;
- EINECS:
- 233-015-8
- Density:
- 0.882 g/cm3
- Boiling Point:
- 241.7 °C at 760 mmHg
- Flash Point:
- 65.8 °C
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Specification
The Ethanol, 2-(octyloxy)-, with the CAS registry number 10020-43-6 and EINECS registry number 233-015-8, has the systematic name of 2-(octyloxy)ethanol. It is also called 2-octoxyethanol. And the molecular formula of the chemical is C10H22O2.
The characteristics of Ethanol, 2-(octyloxy)- are as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.9; (6)ACD/BCF (pH 7.4): 97.9; (7)ACD/KOC (pH 5.5): 926; (8)ACD/KOC (pH 7.4): 926; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 51.65 cm3; (15)Molar Volume: 197.4 cm3; (16)Polarizability: 20.47×10-24cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 0.882 g/cm3; (19)Flash Point: 65.8 °C; (20)Enthalpy of Vaporization: 55.63 kJ/mol; (21)Boiling Point: 241.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00608 mmHg at 25°C.
Uses of Ethanol, 2-(octyloxy)-: It can react with 2-chloro-N,N-diethyl-acetamide to produce N,N-diethyl-2-(2-octyloxy-ethoxy)-acetamide. This reaction will need reagent sodium, and the menstruum xylene. The reaction time is 3 hours with heating, and the yield is about 55%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCOCCCCCCCC
(2)InChI: InChI=1/C10H22O2/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3
(3)InChIKey: ZQCIMPBZCZUDJM-UHFFFAOYAI