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66197-78-2

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Basic Information
CAS No.: 66197-78-2
Name: 26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl dihydrogen phosphate
Molecular Structure:
Molecular Structure of 66197-78-2 (26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl dihydrogen phosphate)
Formula: C33H61O13P
Molecular Weight: 696.80
Synonyms: 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol,26-(nonylphenoxy)-, dihydrogen phosphate (9CI);SINONATE 964HP;Nonoxynol-9 phosphate;(Nonylphenol nona(oxyethylene)) dihydrogen phosphate;
EINECS: 266-231-6
Density: 1.126 g/cm3
Boiling Point: 738.169 °C at 760 mmHg
Flash Point: 400.231 °C
PSA: 85.80000
LogP: 4.46780
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  • 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol,26-(nonylphenoxy)-, 1-(dihydrogen phosphate)

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    66197-78-2

    3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol,26-(nonylphenoxy)-, 1-(dihydrogen phosphate)

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  • 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL,26-(NONYLPHENOXY)-,DIHYDROGEN PHOSPHONATE

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    66197-78-2

    3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL,26-(NONYLPHENOXY)-,DIHYDROGEN PHOSPHONATE

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    3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL,26-(NONYLPHENOXY)-,DIHYDROGEN PHOSPHONATEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by expre

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Specification

The 3, 6, 9, 12, 15, 18, 21, 24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, 1-(dihydrogen phosphate), with the CAS registry number 66197-78-2, is also known as 26-(2-Nonylphenoxy)-3, 6, 9, 12, 15, 18, 21, 24-octaoxahexacos-1-yl dihydrogen phosphate. Its EINECS registry number is 266-231-6. This chemical's molecular formula is C33H61O13P and molecular weight is 696.80. What's more, its systematic name is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate.

Physical properties about 3, 6, 9, 12, 15, 18, 21, 24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, 1-(dihydrogen phosphate) are: (1)ACD/LogP: 2.504; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -1.76; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 13; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 37; (12)Polar Surface Area: 159.64 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 179.32 cm3; (15)Molar Volume: 618.835 cm3; (16)Polarizability: 71.088×10-24cm3; (17)Surface Tension: 42.27 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 400.231 °C; (20)Enthalpy of Vaporization: 113.015 kJ/mol; (21)Boiling Point: 738.169 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: OP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccccc1CCCCCCCCC
(2) InChI: InChI=1/C33H61O13P/c1-2-3-4-5-6-7-8-11-32-12-9-10-13-33(32)45-30-28-43-26-24-41-22-20-39-18-16-37-14-15-38-17-19-40-21-23-42-25-27-44-29-31-46-47(34,35)36/h9-10,12-13H,2-8,11,14-31H2,1H3,(H2,34,35,36)
(3) InChIKey: FVWKLGOINOMUFC-UHFFFAOYAW