Eicosanoic acid, ethyl ester supplier

Name
ARACHIDIC ACID ETHYL ESTER
EINECS 242-297-1
CAS No. 18281-05-5
Article Data6
CAS DataBase
Density 0.861g/cm³
Solubility
Melting Point 44 °C
Formula C₂₂H₄₄O₂
Boiling Point 369.1 °C at 760 mmHg
Molecular Weight 340.59
Flash Point 171.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Arachidicacid, ethyl ester (4CI);Ethyl arachate;Ethyl arachidate;Ethyl eicosanoate;Ethyl icosanoate;
PSA 26.30000
LogP 7.59120

Eicosanoic acid, ethyl ester Specification

The Eicosanoic acid, ethyl ester, with the CAS registry number 18281-05-5, is also known as Ethyl eicosanoate. This chemical's molecular formula is C₂₂H₄₄O₂ and molecular weight is 340.58. What's more, its IUPAC name is ethyl icosanoate.

Physical properties of Eicosanoic acid, ethyl ester are: (1)ACD/LogP: 10.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.27; (4)ACD/LogD (pH 7.4): 10.27; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9232486; (8)ACD/KOC (pH 7.4): 9232486; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 105.74 cm³; (15)Molar Volume: 395.1 cm³; (16)Polarizability: 41.92×10^-24cm³; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.861 g/cm³; (19)Flash Point: 171.4 °C; (20)Enthalpy of Vaporization: 61.58 kJ/mol; (21)Boiling Point: 369.1 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-05 mmHg at 25°C.

Preparation of Eicosanoic acid, ethyl ester: this chemical can be prepared by iodoethane, eicosanoic acid by heating. This reaction will need reagent Cs₂CO₃ and solvent acetonitrile with the reaction time of 2 hours. The yield is about 97%.

Eicosanoic acid, ethyl ester can be prepared by iodoethane, eicosanoic acid by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCC
(2)InChI: InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3
(3)InChIKey: YBKSMWBLSBAFBQ-UHFFFAOYSA-N

Product Name

ARACHIDIC ACID ETHYL ESTER

Eicosanoic acid, ethyl ester Specification

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