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Eicosanal

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Name

Eicosanal

EINECS 219-275-5
CAS No. 2400-66-0 Density 0.832 g/cm3
PSA 17.07000 LogP 7.22700
Solubility N/A Melting Point 77-79℃
Formula C20H40O Boiling Point 342.5 °C at 760 mmHg
Molecular Weight 296.537 Flash Point 168.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2400-66-0 (icosanal) Hazard Symbols N/A
Synonyms

Icosanal;

Article Data 24

Eicosanal 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

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