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CAS No.: | 1120-28-1 |
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Name: | Methyl arachidate |
Molecular Structure: | |
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Formula: | C21H42O2 |
Molecular Weight: | 326.563 |
Synonyms: | Arachicacid methyl ester;Arachidic acid methyl ester;Methyl arachate;Methylarachidate;Methyl eicosanoate; |
EINECS: | 214-304-8 |
Density: | 0.862 g/cm3 |
Melting Point: | 45-48 °C (lit.) |
Boiling Point: | 375 °C at 760 mmHg |
Flash Point: | 184.2 °C |
Solubility: | Soluble in hot alcohol. Sparingly Soluble in water. |
Appearance: | White powder |
PSA: | 26.30000 |
LogP: | 7.20110 |
The Eicosanoic acid, methyl ester, with the CAS registry number 1120-28-1, is also known as Arachidic acid methyl ester. Its EINECS registry number is 214-304-8. This chemical's molecular formula is C21H42O2 and molecular weight is 326.56. What's more, its IUPAC name is Methyl icosanoate. In addition, it must be stored in airtight containers at -20 °C. Meanwhile, it should avoid contact oxidant.
Physical properties about Eicosanoic acid, methyl ester are: (1)ACD/LogP: 9.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.74; (4)ACD/LogD (pH 7.4): 9.74; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4745306.5; (8)ACD/KOC (pH 7.4): 4745306.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 101.11 cm3; (15)Molar Volume: 378.6 cm3; (16)Polarizability: 40.08×10-24 cm3; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 184.2 °C; (20)Enthalpy of Vaporization: 62.25 kJ/mol; (21)Boiling Point: 375 °C at 760 mmHg; (22)Vapour Pressure: 8.02E-06 mmHg at 25 °C.
Preparation of Eicosanoic acid, methyl ester: this chemical is prepared by (Z, Z)-10, 14-Eicosadienoic acid methyl ester. This reaction needs reagent H2, catalyst PtO2 and solvent Methanol. The reaction time is 1 hour. The yield is about 91.1 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CCCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
(3) InChIKey: QGBRLVONZXHAKJ-UHFFFAOYAK