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2136-72-3

Basic Information
CAS No.: 2136-72-3
Name: 2-(OCTADECYLOXY)ETHANOL
Article Data: 12
Molecular Structure:
Molecular Structure of 2136-72-3 (2-(OCTADECYLOXY)ETHANOL)
Formula: C20H42O2
Molecular Weight: 314.552
Synonyms: 2-Octadecoxyethanol;2-Octadecyloxyethanol;3-Oxa-1-heneicosanol;Ethylene glycol monooctadecylether;Ethylene glycol monostearyl ether;Hydroxyethyl stearyl ether;
EINECS: 218-374-0
Density: 0.867g/cm3
Melting Point: 48-53 °C
Boiling Point: 413.1 °C at 760 mmHg
Flash Point: 154.2 °C
PSA: 29.46000
LogP: 6.25680
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Specification

The Ethanol,2-(octadecyloxy)-, with CAS registry number 2136-72-3, has the systematic name of 2-(octadecyloxy)ethanol. Besides this, it is also called α-Hydroxy-ω-octadecylpoly(ethyleneoxy). And the chemical formula of this chemical is C20H42O2. What's more, its EINECS is 218-374-0.

Physical properties of Ethanol,2-(octadecyloxy)-: (1)ACD/LogP: 8.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.24; (4)ACD/LogD (pH 7.4): 8.24; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 719706.31; (8)ACD/KOC (pH 7.4): 719706.31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 97.98 cm3; (15)Molar Volume: 362.5 cm3; (16)Polarizability: 38.84×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.867 g/cm3; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 76.92 kJ/mol; (21)Boiling Point: 413.1 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by methyl octadecyloxyacetate. This reaction will need reagent LAH and solvent tetrahydrofuran. The reaction time is 3 hour(s). The yield is about 100%.

Ethanol,2-(octadecyloxy)- can be prepared by methyl octadecyloxyacetate.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCOCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3
(3)InChIKey: ICIDSZQHPUZUHC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3
(5)Std. InChIKey: ICIDSZQHPUZUHC-UHFFFAOYSA-N