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| CAS No.: | 112-63-0 |
|---|---|
| Name: | Methyl cis,cis-9,12-octadecadienoate |
| Article Data: | 85 |
| Molecular Structure: | |
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|
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| Formula: | C19H34O2 |
| Molecular Weight: | 294.478 |
| Synonyms: | 9,12-Octadecadienoicacid (Z,Z)-, methyl ester;Linoleic acid, methyl ester (6CI,8CI);(9Z,12Z)-9,12-Octadecadienoic acid methyl ester;(9Z,12Z)-Octadecadienoic acidmethyl ester;Methyl (9Z,12Z)-octadecadienoate;Methyl(Z,Z)-9,12-octadecadienoate;Methyl 9-cis,12-cis-octadecadienoate;Methylcis,cis-9,12-octadecadienoate;Methyl cis-9,cis-12 linoleate;Methyl cis-9,cis-12-octadecadienoate;Methyl linoleate;Methyl octadec-9,12-dienoate;Radia 7062; |
| EINECS: | 203-993-0 |
| Density: | 0.884 g/cm3 |
| Melting Point: | -35 °C(lit.) |
| Boiling Point: | 373.3 °C at 760 mmHg |
| Flash Point: | 97 °C |
| Appearance: | Clear pale to dark yellow liquid |
| Hazard Symbols: |
 F, Xn, N
|
| Risk Codes: | 11-38-50/53-65-67 |
| Safety: | 23-24/25-62-61-60-33-29-16-9 |
| PSA: | 26.30000 |
| LogP: | 5.84990 |
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Specification
The 9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester is an organic compound with the formula C19H34O2. The IUPAC name of this chemical is methyl (9Z,12Z)-octadeca-9,12-dienoate. With the CAS registry number 112-63-0, it is also named as Methyl (9Z,12Z)-9,12-octadecadienoate. The product's categories are Biochemistry; Higher Fatty Acids & Higher Alcohols; Unsaturated Higher Fatty Acid Esters; Analytical Chemistry; Fatty Acid Methyl Esters (GC Standard); Standard Materials for GC; Branched Fatty Acids (Methyl Branched)Other Lipid Related Products; FAMEs; Fatty Acids; Fatty AcidsFA/FAME/Lipids/Steroids; Lipid Analytical Standards; Neats&Single Component Solutions; Unsaturated Fatty Acids and Derivatives. Besides, it is clear pale to dark yellow liquid, which should be stored in cool and well-ventilated place.
Physical properties about 9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester are: (1)ACD/LogP: 7.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.64; (4)ACD/LogD (pH 7.4): 7.64; (5)ACD/BCF (pH 5.5): 378398.59; (6)ACD/BCF (pH 7.4): 378398.59; (7)ACD/KOC (pH 5.5): 342191.59; (8)ACD/KOC (pH 7.4): 342191.59; (9)#H bond acceptors: 2 #; (10)#Freely Rotating Bonds: 15; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 91.96 cm3; (14)Molar Volume: 332.8 cm3; (15)Polarizability: 36.45×10-24cm3; (16)Surface Tension: 31.2 dyne/cm; (17)Density: 0.884 g/cm3; (18)Flash Point: 97 °C; (19)Enthalpy of Vaporization: 62.06 kJ/mol; (20)Boiling Point: 373.3 °C at 760 mmHg; (21)Vapour Pressure: 9.04E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by methanol and 1-linoleoylimidazole. The reaction time is 4 hours at ambient temperature.
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Uses of 9,12-Octadecadienoicacid (9Z,12Z)-, methyl ester: it can be used to produce octadeca-9c,12c-dien-1-ol. It will need reagents lithium alanate and diethyl ether.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Please take precautionary measures against static discharges. Besides, this chemical is irritating to skin and may cause lung damage if swallowed. It is vapours may cause drowsiness and dizziness. When you are using it, do not breathe vapour, avoid contact with skin and eyes and do not empty into drains. 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-NQLNTKRDBF
(4)Std. InChI: InChI=1S/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-
(5)Std. InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N