9Z,12E-Tetradecadienylacetate Identity, Physico-Chemical Properties ,Methods of Analysis

2021/07/22

　　The active substance (Z,E)-Tetradeca-9,12-dienyl acetate (short: ZE-TDA) is attributed the CAS-No 30507-70-1 (no EINECS and no ELINCS number allocated.). The molecular formula is C16H28O2, and the molecular weight is 252.4 g/mol. The minimum degree of purity is 97.7%w/w.

　　Structural formula:

　　The spectral data(UV/VIS, IR, MS and 13-C-NMR spectra) are in good accordance with the assigned molecular structure of (Z,E)-Tetradeca-9,12-dienyl acetate.

　　The physico–chemical properties are studied for the purified active substance of stated specification (purity: 98.5%w/w ZE-TDA). ZE-TDA is a colourless liquid with no specific odour. Its melting point is -46.7°C and the boiling point is 318°C. The density is 0.8893 kg/L at 20°C. The vapour pressure of the active substance is 0.18 Pa at 20°C, 0.29 Pa at 25°C and 2.2 Pa at 50°C, and the calculated Henry’s law constant is 381.76 Pa x m3/mol at 20°C. The water solubility is: 0.140 mg/L (pH: 6.10) and 0.115 mg/L (pH: 7.62) at 10°C; 0.143mg/L (pH: 6.22) and 0.119 mg/L (7.58) at 20°C; 0.150 mg/L (pH: 6.18) and 0.121 mg/L (pH: 7.56) at 30°C.

　　The active substance ZE-TDA hydrolyses in water at acidic and alkaline pH values (DT50 is 9h and 13h) but does not form any ions. A reversible dissociation of the active substance is therefore impossible.

　　A preliminary test is employed to determine the approximate solubility of the test substance. Due to the structure of the test substance, ZE-TDA in n-Heptane, p-Xylene, 1,2- Dichloroethane, Methanol or Propan-2-ol, Acetone and Ethyl acetate could be anticipated to be unlimited soluble.

　　The active substance does not contain any organic solvent, therefore the stability in organic solvents was not tested. The partition coefficient octanol-water is log Pow >6.5 at pH 6.5 and 20°C. The active substance is not considered surface active, because it does not display amphipathic properties.

　　The active substance displays neither explosive nor oxidizing properties based on its structure. A DSC-measurement on thermal stability showed exothermal decomposition of the active substance at 330 – 450°C. The active substance is not flammable up to 330 – 450°C. The DSC-measurement in a closed glass crucible showed exothermal decomposition in the temperature range of 330 - 450°C with an energy of 374 J/g. ZE-TDA is not considered to be reactive to container material (metal containers).

　　The characterization of ZE-TDA is performed by using a GC system with FID detection. The method has been validated and is considered suitable to give information on the chemical composition of the technical grade ZE-TDA.

　　According to “Guidance for Waiving of Data Requirements for Pheromones” analytical methods for determination of the active substance in water, sediment and soil are not required.

　　The determination of residues in air can be performed by air-sampling (Sorbent Tubes) followed by extraction of the adsorbent with acetone and determination by gas chromatography.

　　As ZE-TDA is not classified as toxic or very toxic, analytical methods for detection and identification of residues in animal and human body fluids and tissues were not assessed. An analytical method for the determination of residues of ZE-TDA in/on food or feedstuffs is not required because the active substance is not used in a manner that may cause contamination of food or feedstuffs.