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Basic Information
| CAS No.: | 26027-38-3 |
|---|---|
| Name: | POLYETHYLENE GLYCOL MONO-4-NONYLPHENYL ETHER |
| Molecular Structure: | |
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| Formula: | (C2H4O)nC15H24O |
| Molecular Weight: | 514.69200 |
| Synonyms: | Glycols,polyethylene, mono(p-nonylphenyl) ether (8CI);Phenol, p-nonyl-, monoether withpolyethylene glycol (8CI);4-Nonylphenol decaglycol ether;4-Nonylphenolpolyethoxylate;APSA 80;Advantage 24;Akyporox NP 150;Amway APSA 80;AmwayAll Purpose Spray Adjuvant;Bion NE 9;C-Film;COL 1492;Conceptrol;Conco NI90;Cremophor NP 10;Cremophor NP 14;Decaethylene glycol mono(p-nonylphenyl)ether;Decaethylene glycol p-nonylphenyl ether;Delfen;Egyptol;Emulan 30;Emulan 40;Emulsogen ELN;Encare;Encare oval;Ethoxylated p-nonyl phenol;Rokafenol N 5;Rokafenol N 6;Rokafenol N 7;Rokafenol N 705;Rokafenol N 8;Rokafenol N 9;Rokafenol NX 8;Semicid;Staycept;Tetra(oxyethylene), a-(4-nonylphenyl)-w-hydroxy-;Today Sponge;W-ON100;p-Nonylphenol decaethylene glycol ether;Findet 9Q21.5;Gynol II;Hyoxyd X 100;Hyoxyd X 200;Hyoxyd X 400;IKD;IconolNP 100;Imbetin N 7A;Intercept;K-Y Plus;Koromex;Liponox NCY;Monopol NP1013;Monopol NP 1060;N 100;NOP 17;NOP 8;NP 1060;NP 8.5;Neutronyx 611;Newcol 565;Nonal 106;Nonal 202;Nonal 204;Nonoxynol;Nonoxynol 10;Nonoxynol100;Nonoxynol 12;Nonoxynol 13;Nonoxynol 14;Nonoxynol 15;Nonoxynol 6;Nonoxynol 8.5;Nonoxynol 9;PEG p-nonylphenyl ether;PONPE 10;PONPE 15;PONPE20;PONPE 7.5;Pannox 110;Pannox 111;Pannox 116;Pannox 140;Pannox 150;Pannox 16;Pannox 18;Poly(oxyethylene)-4-nonylphenyl ether;Polyethyleneglycol 4-nonylphenyl monoether;Polyethylene glycol mono(4-nonylphenyl) ether;Polyethylene glycol mono(p-nonylphenyl) ether;Polyethylene glycolp-nonylphenyl ether;Polyethylene glycol p-nonylphenyl monoether;Polyethyleneglycol-10 p-nonylphenol ether;Polyoxyethylene mono(4-nonylphenyl) ether;Polyoxyethylene mono-p-nonylphenyl ether;Polyoxyethylene p-nonylphenyl ether;Praewozell W-ON 100;Prevocell N 9;Prevocell W-ON 100;Rexol 25/1;Rexol 25/6;Rokafenol N;Rokafenol N 10;Rokafenol N 14;Rokafenol N 2;Rokafenol N 22;Rokafenol N 25;Rokafenol N 3;Rokafenol N 4;Rokafenol N 45;SINOPOL 964; |
| EINECS: | 243-816-4 |
| Density: | 1.06 |
| Melting Point: | 57-58oC |
| Boiling Point: | 250oC |
| Flash Point: | 94oC |
| Solubility: | 1g/L |
| PSA: | 84.84000 |
| LogP: | 3.87110 |
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POLYETHYLENE GLYCOL MONO-4-NONYLPHENYL ETHER
Consensus Reports
Reported in EPA TSCA Inventory.
Specification
Nonoxynols, with the CAS NO.26027-38-3, is also called 2-ethanediyl),.alpha.-(4-nonylphenyl)-.omega.-hydroxy-Poly(oxy-1; alpha-(4-nonylphenyl)-omega-hydroxy-poly(oxy-2-ethanediyl); ethyleneoxideadductnonylphenol; glycols,polyethylene,mono(p-nonylphenyl)ether; n-9; nonoxynol; nonoxynol-10; nonoxynol-12. Nonoxynols are mixtures of nonionic surfactants used as detergents, emulsifiers, wetting agents, defoaming agents, etc. nonoxynol-9, the compound with approximately 9 repeating ethoxy groups, is a spermatocide, formulated primarily as a component of vaginal foams and creams. These compounds are produced by ethoxylation of alkylphenols. The precursor nonylphenol is derived from phenol and a mixture of nonenes.
Physical properties about Nonoxynols are: (1)ACD/LogP: 6.178; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 9.23; (6)ACD/BCF (pH 7.4): 9.23; (7)ACD/KOC (pH 5.5): 17.29; (8)ACD/KOC (pH 7.4): 17.29; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Flash Point: 274.3 °C; (13)Enthalpy of Vaporization: 84.74 kJ/mol; (14)Boiling Point: 529.9 °C at 760 mmHg; (15)Vapour Pressure: 4.65E-12 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:[O-]S(=O)(=O)OCCOc1ccc(cc1)CCCCCCCCC.[NH4+];
(2)Std. InChI:InChI=1S/C17H28O5S.H3N/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)21-14-15-22-23(18,19)20;/h10-13H,2-9,14-15H2,1H3,(H,18,19,20);1H3;
(3)Std. InChIKey:RMCWGZGQNDVYCY-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 840uL/kg (.84mL/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | Contraception. Vol. 33, Pg. 1, 1986. | |
| mouse | LD50 | oral | 4290uL/kg (4.29mL/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rabbit | LD50 | oral | 620uL/kg (.62mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rabbit | LD50 | skin | 1800uL/kg (1.8mL/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LIVER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rabbit | LD50 | skin | 2mL/kg (2mL/kg) | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. | |
| rabbit | LD50 | skin | 2500uL/kg (2.5mL/kg) | BLOOD: HEMORRHAGE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rabbit | LD50 | skin | 2830uL/kg (2.83mL/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rabbit | LD50 | skin | 3970uL/kg (3.97mL/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: OTHER CHANGES BLOOD: HEMORRHAGE | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rabbit | LD50 | skin | > 10gm/kg (10000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | intraperitoneal | 210mg/kg (210mg/kg) | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. | |
| rat | LD50 | oral | 1410uL/kg (1.41mL/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 3670uL/kg (3.67mL/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 3730uL/kg (3.73mL/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: TREMOR | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 5100uL/kg (5.1mL/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: TREMOR | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 1300mg/kg (1300mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 1980mg/kg (1980mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: TREMOR | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 2500mg/kg (2500mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 3550mg/kg (3550mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: TREMOR | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | oral | 4300mg/kg (4300mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |
| rat | LD50 | subcutaneous | 1gm/kg (1000mg/kg) | Journal of the American College of Toxicology. Vol. 2(7), Pg. 35, 1983. |