The IUPAC name of Octoxynol-20 is 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol. With the CAS registry number 9036-19-5, it is also named as PEG-1 Octyl phenyl ether. The product's categories are Core Bioreagents; Detergents A to Z Detergents; Detergents; Non-Ionic; Research Essentials, and the other registry numbers are 11130-43-1; 120026-27-9; 12679-74-2; 1336-60-3; 141443-66-5; 188612-22-8; 39283-49-3; 39316-46-6; 39320-65-5; 39341-03-2; 50815-48-0; 52628-05-4; 53663-54-0; 53858-66-5; 54834-97-8; 55068-75-2; 55600-46-9; 58056-95-4; 59112-84-4; 63172-50-9; 71538-51-7; 73904-96-8; 77137-66-7; 881841-96-9; 881842-18-8; 9081-83-8. Besides, it is liquid, which should be stored in closed, cool and dry place. It is a complete membrane protein separation reagent and non-ionic detergent agent. In addition, its molecular formula is C18H30O3 and molecular weight is 294.43.
The other characteristics of Octoxynol-20 can be summarized as: (1)ACD/LogP: 4.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.53; (4)ACD/LogD (pH 7.4): 4.53; (5)ACD/BCF (pH 5.5): 1636.13; (6)ACD/BCF (pH 7.4): 1636.13; (7)ACD/KOC (pH 5.5): 6951.01; (8)ACD/KOC (pH 7.4): 6951.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 86.99 cm3; (15)Molar Volume: 299.5 cm3; (16)Polarizability: 34.48×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 0.982 g/cm3; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 68.94 kJ/mol; (21)Boiling Point: 402.6 °C at 760 mmHg; (22)Vapour Pressure: 3.33E-07 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is risk of serious damage to the eyes and irritating to skin. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear eye / face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCO
(2)InChI: InChI=1/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
(3)InChIKey: LBCZOTMMGHGTPH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
(5)Std. InChIKey: LBCZOTMMGHGTPH-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 70mg/kg (70mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 428, 1949. | |
mouse | LD50 | oral | 3500mg/kg (3500mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 428, 1949. | |
rat | LD50 | intraperitoneal | 770mg/kg (770mg/kg) | Food and Chemical Toxicology. Vol. 22, Pg. 665, 1984. | |
rat | LD50 | oral | 4mL/kg (4mL/kg) | Proceedings of the Scientific Section of the Toilet Goods Association. Vol. 20, Pg. 16, 1953. | |
rat | LD50 | oral | 2800mg/kg (2800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology and Applied Pharmacology. Vol. 5, Pg. 782, 1963. |
rat | LD50 | oral | 3600mg/kg (3600mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology and Applied Pharmacology. Vol. 5, Pg. 782, 1963. |
rat | LD50 | oral | 4190mg/kg (4190mg/kg) | Food and Chemical Toxicology. Vol. 22, Pg. 665, 1984. |
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