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56219-10-4

Basic Information
CAS No.: 56219-10-4
Name: PALMITOLEIC ACID ETHYL ESTER
Article Data: 6
Molecular Structure:
Molecular Structure of 56219-10-4 (PALMITOLEIC ACID ETHYL ESTER)
Formula: C18H34O2
Molecular Weight: 282.467
Synonyms: 9-Hexadecenoicacid, ethyl ester, (Z)-;Palmitoleic acid ethyl ester (6CI);Ethyl(Z)-9-hexadecenoate;Ethyl cis-9-hexadecenoate;Ethyl palmitoleate;cis-9-Hexadecenoic acid ethyl ester;Ethyl (9Z)-hexadec-9-enoate;
EINECS: 260-065-8
Density: 0.875 g/cm3
Melting Point: 33.9 °C
Boiling Point: 355.5 ºC at 760 mmHg
Flash Point: 92.7 ºC
Appearance: Liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 26.30000
LogP: 5.80680
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Specification

The 9-Hexadecenoicacid, ethyl ester, (9Z)-, with the CAS registry number 56219-10-4, is also known as Ethyl cis-9-hexadecenoate. This chemical's molecular formula is C18H34O2 and molecular weight is 282.46. What's more, its systematic name is Ethyl (9Z)-hexadec-9-enoate and its EINECS number is 260-065-8. In addition, its storage temperature is -20 °C.

Physical properties of 9-Hexadecenoicacid, ethyl ester, (9Z)- are: (1)ACD/LogP: 7.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.63; (4)ACD/LogD (pH 7.4): 7.63; (5)ACD/BCF (pH 5.5): 369840.63; (6)ACD/BCF (pH 7.4): 369840.63; (7)ACD/KOC (pH 5.5): 336633.84; (8)ACD/KOC (pH 7.4): 336633.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 87.27 cm3; (15)Molar Volume: 322.7 cm3; (16)Polarizability: 34.59×10-24 cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 0.875 g/cm3; (19)Flash Point: 92.7 °C; (20)Enthalpy of Vaporization: 60.07 kJ/mol; (21)Boiling Point: 355.5 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-05 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC=CCCCCCCCC(=O)OCC
(2)InChI: InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9-
(3)InChIKey: JELGPLUONQGOHF-KTKRTIGZSA-N