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463-40-1

Basic Information
CAS No.: 463-40-1
Name: 9,12,15-Octadecatrienoicacid, (9Z,12Z,15Z)-
Article Data: 52
Cas Database
Molecular Structure:
Molecular Structure of 463-40-1 (9,12,15-Octadecatrienoicacid, (9Z,12Z,15Z)-)
Formula: C18H30O2
Molecular Weight: 278.435
Synonyms: 9,12,15-all-cis-Octadecatrienoic acid;(Z,Z,Z)-9,12,15-Octadecatrienoic acid;
EINECS: 207-334-8
Density: 0.925 g/cm3
Melting Point: -11 °C(lit.)
Boiling Point: 443.376 °C at 760 mmHg
Flash Point: 275.733 °C
Solubility: insoluble in water
Appearance: clear light yellow to yellow liquid
Hazard Symbols: R36/37/38:;
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 37.30000
LogP: 5.66050
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Specification

This chemical is called Linolenic acid, and its systematic name is 9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-. With the molecular formula of C18H30O2, its product categories are Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives; Biochemistry; Unsaturated Higher Fatty Acids. The CAS registry number of this chemical is 463-40-1. Additionally, this chemical is insoluble in water or ethanol, but soluble in ether and other organic solvents. It should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Linolenic acid can be summarised as followings: (1)ACD/LogP: 6.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.724; (4)ACD/LogD (pH 7.4): 3.929; (5)ACD/BCF (pH 5.5): 8482.592; (6)ACD/BCF (pH 7.4): 136.019; (7)ACD/KOC (pH 5.5): 13391.174; (8)ACD/KOC (pH 7.4): 214.729; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 87.178 cm3; (15)Molar Volume: 301.127 cm3; (16)Polarizability: 34.56×10-24cm3; (17)Surface Tension: 34.861 dyne/cm; (18)Density: 0.925 g/cm3; (19)Flash Point: 275.733 °C; (20)Enthalpy of Vaporization: 76.851 kJ/mol; (21)Boiling Point: 443.376 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of this chemical: Linolenic acid could be obtained by the raw material oleic acid. It has three crystal forms α, β, γ. The physiological role of α-linolenic acid is to enhance intelligence, improve memory, protect eyesight and improve sleep, lower blood lipids and blood pressure. It also has the fuction of inhibition of hemorrhagic stroke and prevention of allergy. γ-Linolenic acid is to treat high blood pressure and diabetes.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
2.InChI: InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
3.InChIKey: DTOSIQBPPRVQHS-PDBXOOCHBH

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