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53120-26-6

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Basic Information
CAS No.: 53120-26-6
Name: E,Z-3,13-OCTADECADIENYLACETATE
Article Data: 15
Molecular Structure:
Molecular Structure of 53120-26-6 (E,Z-3,13-OCTADECADIENYLACETATE)
Formula: C20H36O2
Molecular Weight: 308.505
Synonyms: (3E,13Z)-Octadeca-3,13-dienyl acetate;(E,Z)-3,13-Octadecadienyl acetate;3,13-Octadecadien-1-ol, acetate, (E,Z)-;3,13-Octadecadien-1-ol, acetate, (3E,13Z)-;104750-88-1;[(3E,13Z)-octadeca-3,13-dienyl] acetate;(E,Z)-3,13-Octadecadien-1-ol acetate;146522-38-5;
EINECS: 258-373-2
Density: 0.882 g/cm3
Boiling Point: 390.3 °C at 760 mmHg
Flash Point: 97.6 °C
PSA: 26.30000
LogP: 6.36300
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Specification

The CAS registry number of EPA Pesticide Chemical Code 117202 is 53120-26-6. This chemical is also named as 3,13-Octadecadien-1-ol, acetate, (3E,13Z)-. Its EINECS registry number is 258-373-2. In addition, its molecular formula is C20H36O2 and molecular weight is 308.5. Its IUPAC name is called [(3E,13Z)-octadeca-3,13-dienyl] acetate.

Physical properties about EPA Pesticide Chemical Code 117202 are: (1)ACD/LogP: 8.27; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 16; (6)Index of Refraction: 1.465; (7)Molar Refractivity: 96.59 cm3; (8)Molar Volume: 349.3 cm3; (9)Surface Tension: 31.3 dyne/cm; (10)Density: 0.882 g/cm3; (11)Flash Point: 97.6 °C; (12)Enthalpy of Vaporization: 63.98 kJ/mol; (13)Boiling Point: 390.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC/C=C/CCCCCCCC\C=C/CCCC)C
(2)InChI: InChI=1/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6-,17-16+
(3)InChIKey: VVJPJXKHBZNADP-ZSTZHTMOBF