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| CAS No.: | 51811-79-1 |
|---|---|
| Name: | NONOXYNOL-3 PHOSPHATE |
| Molecular Structure: | |
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| Formula: | C17H31O6P |
| Molecular Weight: | 362.3982 |
| Synonyms: | ethanol, 2-(2-nonylphenoxy)-, compd. with phosphoric acid (1:1);Poly(oxy-1,2-ethanediyl), α-(nonylphenyl)-ω-hydroxy-, phosphate;Ethoxylated nonylphenol phosphate;Nonylphenol, ethoxylated and phosphated;Phosphated, ethoxylated nonylphenol;Phosphoric ester of poly(oxyethylene) nonylphenol ether;Polyethylene glycol nonylphenyl ether phosphate;Poly(oxy-1,2-ethanediyl), alpha-(nonylphenyl)-omega-hydroxy-;SINONATE 960P; |
| Boiling Point: | 564.4 °C at 760 mmHg |
| Flash Point: | 295.2 °C |
| PSA: | 117.03000 |
| LogP: | 3.42220 |
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Specification
The 2-(2-nonylphenoxy)ethanol-phosphoric acid (1:1), with the CAS registry number 51811-79-1, is also called ethanol, 2-(2-nonylphenoxy)-, compd. with phosphoric acid (1:1). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C17H31O6P.
The characteristics of 2-(2-nonylphenoxy)ethanol-phosphoric acid (1:1) are as followings: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 117.03 Å2; (7)Flash Point: 295.2 °C; (8)Enthalpy of Vaporization: 89.22 kJ/mol; (9)Boiling Point: 564.4 °C at 760 mmHg; (10)Vapour Pressure: 1.41E-13 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OP(O)(=O)O.CCCCCCCCCc1ccccc1OCCO
(2)InChI: InChI=1/C17H28O2.H3O4P/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-15-14-18;1-5(2,3)4/h9-10,12-13,18H,2-8,11,14-15H2,1H3;(H3,1,2,3,4)
(3)InChIKey: XBOKDEIRXXZSES-UHFFFAOYAM