Basic Information | Post buying leads | Suppliers |
Reported in EPA TSCA Inventory.
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. |