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| CAS No.: | 2566-97-4 |
|---|---|
| Name: | LINOLELAIDIC ACID METHYL ESTER |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C19H34O2 |
| Molecular Weight: | 294.478 |
| Synonyms: | METHYL TRANS,TRANS-9,12-OCTADIENOATE;METHYL LINOELAIDATE;METHYL LINOLELAIDATE;METHYL OCTADECADIENOATE;LINOLELAIDIC ACID METHYL ESTER;LINOLELAIDIC METHYL ESTER;LINOELAIDIC ACID METHYL ESTER;DELTA 9-TRANS 12-TRANS OCTADECADIENOIC ACID METHYL ESTER |
| EINECS: | 219-901-7 |
| Density: | 0.884 g/cm3 |
| Boiling Point: | 373.3 °C at 760 mmHg |
| Flash Point: | 97 °C |
| Appearance: | CLEAR COLORLESS LIQUID |
| Hazard Symbols: |
 F;  Xn;  N
|
| Risk Codes: | 11-38-50/53-65-67 |
| Safety: | 9-16-29-33-60-61-62 |
| Transport Information: | UN 1206 |
| PSA: | 26.30000 |
| LogP: | 5.97290 |
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Specification
The with CAS registry number of 9,12-Octadecadienoicacid,methyl ester,(9E,12E)- is 2566-97-4. The IUPAC name is methyl (9E,12E)-octadeca-9,12-dienoate. Its EINECS registry number is 219-901-7. In addition, the formula is C19H34O2 and the molecular weight is 294.4721. What's more, it belongs to the classes of Esters; FAMEs; Fatty AcidsUnsaturated fatty acids and derivatives; Lipid Analytical Standards; Methyl Esters FA/FAME/Lipids/Steroids; Neats & Single Component Solutions and other Lipid Related Products.
Physical properties about this chemical are: (1)ACD/LogP: 7.64; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 91.96 cm3; (9)Molar Volume: 332.8 cm3; (10)Polarizability: 36.45 ×10-24cm3; (11)Surface Tension: 31.2 dyne/cm; (12)Density: 0.884 g/cm3; (13)Flash Point: 97 °C; (14)Enthalpy of Vaporization: 62.06 kJ/mol; (15)Boiling Point: 373.3 °C at 760 mmHg; (16)Vapour Pressure: 9.04E-06 mmHg at 25°C.
Uses of 9,12-Octadecadienoicacid,methyl ester,(9E,12E)-: it can be used to get 8-[3-(3-pentyl-oxiranylmethyl)-oxiranyl]-octanoic acid methyl ester. This reaction will need reagent m-chloroperbenzoic acid and solvent CH2Cl2. The reaction time is 18 hours at ambient temperature.The yield is about 100%.
![9,12-Octadecadienoicacid,methyl ester,(9E,12E)- can be used to get 8-[3-(3-pentyl-oxiranylmethyl)-oxiranyl]-octanoic acid methyl ester](/UserFilesUpload/Uses of 9,12-Octadecadienoicacid,methyl ester,(9E,12E)-.png)
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and irritating to skin. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. And it may cause lung damage if swallowed. What's more, vapours may cause drowsiness and dizziness. When you are using it, keep container in a well-ventilated place and keep away from sources of ignition. You should take precautionary measures against static discharges and avoid release to the environment. In addition, this material and its container must be disposed of as hazardous waste. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCC/C=C/C/C=C/CCCCC
(2)InChI: InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
(3)InChIKey: WTTJVINHCBCLGX-ZDVGBALWBO