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Basic Information

Molecular Structure:
CAS No.:	2400-66-0
Name:	icosanal
Article Data:	24

Formula:	C₂₀H₄₀O
Molecular Weight:	296.537
Synonyms:	Icosanal;
EINECS:	219-275-5
Density:	0.832 g/cm³
Melting Point:	77-79℃
Boiling Point:	342.5 °C at 760 mmHg
Flash Point:	168.6 °C
PSA:	17.07000
LogP:	7.22700

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Specification

The Eicosanal, with the CAS registry number 2400-66-0. Its EINECS number is 219-275-5. This chemical's molecular formula is C₂₀H₄₀O and molecular weight is 296.53. What's more, its IUPAC name is Icosanal.

Physical properties of Eicosanal are: (1)ACD/LogP: 9.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.41; (4)ACD/LogD (pH 7.4): 9.41; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3125021.5; (8)ACD/KOC (pH 7.4): 3125021.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 94.89 cm³; (15)Molar Volume: 355.9 cm³; (16)Polarizability: 37.61×10^-24 cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 0.832 g/cm³; (19)Flash Point: 168.6 °C; (20)Enthalpy of Vaporization: 58.63 kJ/mol; (21)Boiling Point: 342.5 °C at 760 mmHg; (22)Vapour Pressure: 7.47E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by eicosan-1-ol at the temperature of 25 °C. This reaction will need reagent N-methylmorpholine N-oxide and solvent acetonitrile. This reaction will also need catalyst RuCl₃.

Eicosanal can be prepared by eicosan-1-ol at the temperature of 25 °C.

Uses of Eicosanal: it can be used to produce 1-(tetrahydropyran-2-yloxy)octacosan-9-ol. The yield is about 68%.

Eicosanal can be used to produce 1-(tetrahydropyran-2-yloxy)octacosan-9-ol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCC=O
(2)InChI: InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3
(3)InChIKey: FWBUWJHWAKTPHI-UHFFFAOYSA-N