2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane,3,9-bis[2,6-bis(1,1-dimethylethyl)-4-methylphenoxy]- (80693-00-1)

The Bis(2,6-di-ter-butyl-4-methylphenyl)pentaerythritol-diphosphite, with the CAS registry number 80693-00-1, has the systematic name of 3,9-bis(2,6-di-tert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane. And the molecular formula of the chemical is C₃₅H₅₄O₆P₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 12.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.68; (4)ACD/LogD (pH 7.4): 12.68; (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: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 82.56 Å²; (13)Flash Point: 380.5 °C; (14)Enthalpy of Vaporization: 83.18 kJ/mol; (15)Boiling Point: 577 °C at 760 mmHg; (16)Vapour Pressure: 1.04E-12 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Avoid release to the environment; Refer to special instructions safety data sheet.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O2P(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)OCC3(C2)COP(OC3)Oc4c(cc(cc4C(C)(C)C)C)C(C)(C)C
(2)InChI: InChI=1/C35H54O6P2/c1-23-15-25(31(3,4)5)29(26(16-23)32(6,7)8)40-42-36-19-35(20-37-42)21-38-43(39-22-35)41-30-27(33(9,10)11)17-24(2)18-28(30)34(12,13)14/h15-18H,19-22H2,1-14H3
(3)InChIKey: SSADPHQCUURWSW-UHFFFAOYAB