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13003-12-8

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Basic Information
CAS No.: 13003-12-8
Name: butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P',P'-tetratridecylbis(phosphine)
Molecular Structure:
Molecular Structure of 13003-12-8 (butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P',P'-tetratridecylbis(phosphine))
Formula: C78H144 O6 P2
Molecular Weight: 1239.92
Synonyms: Phosphorousacid, butylidenebis[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene] tetratridecylester (9CI);Phosphorous acid, ditridecyl ester, diester with4,4'-butylidenebis[6-tert-butyl-m-cresol] (7CI,8CI);1,1-Di(2-methyl-4-ditridecylphosphito-5-tert-butylphenyl)butane;4,4'-Butylidenebis(3-methyl-6-tert-butylphenyl ditridecyl phosphite);4,4'-Butylidenebis(6-tert-butyl-3-methylphenyl ditridecyl phosphite);ADK Stab260;Mark 260;Mark P;Mark QL;
EINECS: 235-841-4
Density: g/cm3
Boiling Point: 973.3°Cat760mmHg
Flash Point: 690.6°C
PSA: 82.56000
LogP: 28.35220
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Specification

butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P',P'-tetratridecylbis(phosphine), with the CAS NO.13003-12-8, has the Synonyms of 44BUTYLIDENEBIS6TERTBUTYL3METHYLPHENYLDITRIDECYLPHOSPHITE; Phosphorous acid, butylidenebis[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene] tetratridecyl ester; Tetratridecyl 4,4'-butylidenebis(2-tert-butyl-5-methylphenyl) diphosphite; 4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)bis(phosphorous acid ditridecyl) ester; Butylidenebis[(2-tert-butyl-5-methyl-4,1-phenylene)oxy]bis(phosphonous acid ditridecyl) ester; 4,4'-butylidene-bis(3-methyl-6-t-butylphenyl ditridecyl)phosphite.

Physical properties about butylidenebis[2-tert-butyl-5-methyl-p-phenylene]-P,P,P',P'-tetratridecylbis(phosphine) are: (1)ACD/LogP: 38.975; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 38.98; (4)ACD/LogD (pH 7.4): 38.98; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 63; (11)Flash Point: 690.559 °C; (12)Enthalpy of Vaporization: 137.286 kJ/mol; (13)Boiling Point: 973.336 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)c2cc(CC(CCC)c1cc(c(OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)cc1C)C(C)(C)C)c(C)cc2OP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC;
(2)Std. InChI:InChI=1S/C78H144O6P2/c1-13-18-22-26-30-34-38-42-46-50-54-59-79-85(80-60-55-51-47-43-39-35-31-27-23-19-14-2)83-76-63-69(8)72(66-73(76)68(6)7)65-71(58-17-5)74-67-75(78(10,11)12)77(64-70(74)9)84-86(81-61-56-52-48-44-40-36-32-28-24-20-15-3)82-62-57-53-49-45-41-37-33-29-25-21-16-4/h63-64,66-68,71H,13-62,65H2,1-12H3;
(3)Std. InChIKey:XVIOUABUVFGWBZ-UHFFFAOYSA-N