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| CAS No.: | 39464-69-2 |
|---|---|
| Name: | OLETH-2 PHOSPHATE |
| Molecular Structure: | |
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| Formula: | C20H43O6P |
| Molecular Weight: | 410.5256 |
| Synonyms: | Crodafos N 5A;Poly(oxy-1,2-ethanediyl),R-(9Z)-9- octadecenyl-?-hydroxy-,phosphate;Phosphanol RB 410;Crodafos N 3 acid;Gafac RO 660;Briphos O 3D;Crodafos N 10A;Crodafos N 3A;Oleth 4 phosphate;SINONATE 1204P; |
| Boiling Point: | 416.8 ºC at 760 mmHg |
| Flash Point: | 158.1 ºC |
| Appearance: | Viscous Yellow Liquid |
| PSA: | 117.03000 |
| LogP: | 5.10420 |
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- Total:35 Page 1 of 1 1
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Specification
The Oleth-2 phosphate, with its CAS registry number 39464-69-2, has the IUPAC name of 2-octadec-9-enoxyethanol; phosphoric acid. And it has the systematic name of Poly(oxy-1,2-ethanediyl), alpha-(9Z)-9-octadecen-1-yl-omega-hydroxy-, phosphate.
The physical properties of this chemical are as below: (1)ACD/LogP: 7.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.72; (4)ACD/LogD (pH 7.4): 7.72; (5)ACD/BCF (pH 5.5): 431667.63; (6)ACD/BCF (pH 7.4): 431667.63; (7)ACD/KOC (pH 5.5): 376020.91; (8)ACD/KOC (pH 7.4): 376020.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 18.46; (13)Flash Point: 158.1 °C; (14)Enthalpy of Vaporization: 77.4 kJ/mol; (15)Boiling Point: 416.8 °C at 760 mmHg; (16)Vapour Pressure: 1.09E-08 mmHg at 25°C; (17)Exact Mass: 410.279726; (18)MonoIsotopic Mass: 410.279726; (19)Topological Polar Surface Area: 107; (20)Heavy Atom Count: 27; (21)Complexity: 264.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCCOCCO.OP(=O)(O)O
(2)InChI: InChI=1S/C20H40O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21;1-5(2,3)4/h9-10,21H,2-8,11-20H2,1H3;(H3,1,2,3,4)
(3)InChIKey: IPHYGCMVLYWKLM-UHFFFAOYSA-N