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59686-68-9

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Basic Information
CAS No.: 59686-68-9
Name: MYRETH-3 MYRISTATE
Molecular Structure:
Molecular Structure of 59686-68-9 (MYRETH-3 MYRISTATE)
Formula: C30H60O3
Molecular Weight: 468.805
Synonyms: MYRETH-3 MYRISTATE;Myristyl-3EO-myristat;alpha-(1-oxotetradecyl)- omega -(tetradecyloxy)-poly(oxy-2-ethanediyl);alpha-(1-oxotetradecyl)-omega -(tetradecyloxy)-poly(oxy-2-ethanediyl)
Density: 0.878 g/cm3
Boiling Point: 538.4 °C at 760 mmHg
Flash Point: 198.2 °C
PSA: 35.53000
LogP: 9.94840
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  • Poly(oxy-1,2-ethanediyl),α-(1-oxotetradecyl)-ω-(tetradecyloxy)-

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    Poly(oxy-1,2-ethanediyl),α-(1-oxotetradecyl)-ω-(tetradecyloxy)-

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Specification

The Poly(oxy-1,2-ethanediyl),α-(1-oxotetradecyl)-ω-(tetradecyloxy)- has CAS registry number 59686-689. This chemical's molecular formula is C30H60O3 and molecular weight is 468.80. What's more, its IUPAC name is 2-Tetradecoxyethyl tetradecanoate. 

Physical properties of Poly(oxy-1,2-ethanediyl),α-(1-oxotetradecyl)-ω-(tetradecyloxy)- are: (1)ACD/LogP: 13.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.2; (4)ACD/LogD (pH 7.4): 13.2; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 29; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 144.55 cm3; (15)Molar Volume: 533.5 cm3; (16)Polarizability: 57.3×10-24cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 0.878 g/cm3; (19)Flash Point: 198.2 °C ; (20)Enthalpy of Vaporization: 81.56 kJ/mol; (21)Boiling Point: 538.4 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOCCCCCCCCCCCCCC)CCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C30H60O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-28-29-33-30(31)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
(3)Std. InChIKey: RHSNXMNVSLEULC-UHFFFAOYSA-N