The Sumilizer GP, with CAS registry number 203255-81-6, has the systematic name of 2-tert-butyl-6-methyl-4-{3-[(2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]propyl}phenol. And the chemical formula of this chemical is C42H61O4P. What's more, its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of Sumilizer GP: (1)ACD/LogP: 15.12; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.12; (4)ACD/LogD (pH 7.4): 15.12; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 50.51 Å2; (13)Enthalpy of Vaporization: 99.99 kJ/mol; (14)Vapour Pressure: 9.03E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cc(cc1C(C)(C)C)CCCOP2Oc4c(c3cc(cc(c3O2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)C
(2)InChI: InChI=1/C42H61O4P/c1-26-20-27(21-32(35(26)43)40(8,9)10)18-17-19-44-47-45-36-30(22-28(38(2,3)4)24-33(36)41(11,12)13)31-23-29(39(5,6)7)25-34(37(31)46-47)42(14,15)16/h20-25,43H,17-19H2,1-16H3
(3)InChIKey: MSXXDBCLAKQJQT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C42H61O4P/c1-26-20-27(21-32(35(26)43)40(8,9)10)18-17-19-44-47-45-36-30(22-28(38(2,3)4)24-33(36)41(11,12)13)31-23-29(39(5,6)7)25-34(37(31)46-47)42(14,15)16/h20-25,43H,17-19H2,1-16H3
(5)Std. InChIKey: MSXXDBCLAKQJQT-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View