CAS No.80693-00-1,Bis(2,6-di-ter-butyl-4-methylphenyl)pentaerythritol-diphosphite Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80693-00-1
Name:	Bis(2,6-di-ter-butyl-4-methylphenyl)pentaerythritol-diphosphite
Article Data:	1

Formula:	C₃₅H₅₄O₆P₂
Molecular Weight:	632.758
Synonyms:	ADK PEP 36;ADK Stab PEP 36;ADK Stab PER 36;ADK Stab PFP 36;Bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite;Di(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite;Fosfit 7;MarkPEP 36;PEP 36;Pentaerythritolbis[(2,6-di-tert-butyl-4-methylphenyl)phosphite];
EINECS:	410-290-4
Density:	1.19[at 20℃]
Melting Point:	235-240 °C
Boiling Point:	577 °C at 760 mmHg
Flash Point:	380.5 °C
Solubility:	10μg/L at 20℃
Risk Codes:	53
Safety:	61
PSA:	82.56000
LogP:	10.48500

Synthetic route

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 3643-70-7
3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5] undecane

: 80693-00-1
bis(2,6-di-tert-butyl-4-methylphenyl)pentaerythritol diphosphite

Conditions

Conditions	Yield
Stage #1: 2,6-di-tert-butyl-4-methyl-phenol With dibutylamine; triethylamine In 1,3,5-trimethyl-benzene at 115 - 125℃; for 2h; Stage #2: 3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5] undecane With tributyl-amine; triethanolamine In 1,3,5-trimethyl-benzene at 120 - 130℃; under 150.015 - 225.023 Torr; for 0.5h;	80.6%

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Specification

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