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1-Eicosanol,2-hexadecyl-

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Name

1-Eicosanol,2-hexadecyl-

EINECS 241-637-6
CAS No. 17658-63-8 Density 0.842g/cm3
Solubility Melting Point
Formula C36H74O Boiling Point 535 °C at 760 mmHg
Molecular Weight 522.97216 Flash Point 130.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 17658-63-8 (1-Eicosanol,2-hexadecyl-) Hazard Symbols
Synonyms

2-Hexadecyl-1-eicosanol;2-Hexadecylarachic alcohol;2-Hexadecyleicosanol;Guerbet C36;Isofol 36;

 

1-Eicosanol,2-hexadecyl- Specification

The 1-Eicosanol,2-hexadecyl-, with CAS registry number 17658-63-8, has the systematic name of 2-hexadecylicosan-1-ol. Besides this, it is also called Pentatriacontane, 17-(hydroxymethyl)-. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And the chemical formula of this chemical is C36H74O. What's more, its EINECS is 241-637-6.

Physical properties of 1-Eicosanol,2-hexadecyl-: (1)ACD/LogP: 17.69; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 17.69; (4)ACD/LogD (pH 7.4): 17.69; (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)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 34; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 170.32 cm3; (15)Molar Volume: 620.6 cm3; (16)Polarizability: 67.52×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.842 g/cm3; (19)Flash Point: 130.2 °C; (20)Enthalpy of Vaporization: 93.32 kJ/mol; (21)Boiling Point: 535 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3
(3)InChIKey: JQJGGMZIMBGQQY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3
(5)Std. InChIKey: JQJGGMZIMBGQQY-UHFFFAOYSA-N

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