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Phosphorous acid,oxybis(1-methyl-2,1-ethanediyl) tetraphenyl ester (9CI) (80584-85-6)

Identification
Name:Phosphorous acid,oxybis(1-methyl-2,1-ethanediyl) tetraphenyl ester (9CI)
Synonyms:oxybis(1-methylethylene) tetraphenyl diphosphite;Phosphorous acid, oxybis(1-methyl-2,1-ethanediyl) tetraphenyl ester;Oxybis(1-methylethylen)tetraphenyldiphosphit;Thop;Tetraphenyl dipropyleneglycol diphosphite;oxybis(1-methyl-2,1-ethanediyl)tetraphenyl phosphite
CAS:80584-85-6
EINECS: 279-498-9
Molecular Formula: C30H32 O7 P2
Molecular Weight: 566.53
Molecular Structure: (C30H32O7P2) oxybis(1-methylethylene) tetraphenyl diphosphite;Phosphorous acid, oxybis(1-methyl-2,1-ethanediyl) t...
Properties
Flash Point: 571.3 °C at 760 mmHg
Boiling Point: 571.3 °C at 760 mmHg
Specification:

The systematic name of Tetraphenyl dipropyleneglycol diphosphite is Oxydipropane-2,1-diyl tetraphenyl bis(phosphite). With the CAS registry number 80584-85-6, it is also named as Phosphorous acid, oxybis(1-methyl-2,1-ethanediyl) tetraphenyl ester. In addition, its molecular formula is C30H32O7P2 and its molecular weight is 566.53. 

The other characteristics of Tetraphenyl dipropyleneglycol diphosphite can be summarized as: (1)EINECS: 279-498-9; (2)ACD/LogP: 12.15; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 12.15; (5)ACD/LogD (pH 7.4): 12.15; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 10000000; (9)ACD/KOC (pH 7.4): 10000000; (10)H bond acceptors: 7; (11)H bond donors: 0; (12)Freely Rotating Bonds: 16; (13)Polar Surface Area: 91.79 Å2; (14)Flash Point: 376 °C; (15)Enthalpy of Vaporization: 82.48 kJ/mol; (16)Boiling Point: 571.3 °C at 760 mmHg; (17)Vapour Pressure: 1.81E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(P(Oc1ccccc1)Oc2ccccc2)CC(OC(C)COP(Oc3ccccc3)Oc4ccccc4)C
(2)InChI:InChI=1/C30H32O7P2/c1-25(23-31-38(34-27-15-7-3-8-16-27)35-28-17-9-4-10-18-28)33-26(2)24-32-39(36-29-19-11-5-12-20-29)37-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3
(3)InChIKey:ABDIOITUDBUNNJ-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C30H32O7P2/c1-25(23-31-38(34-27-15-7-3-8-16-27)35-28-17-9-4-10-18-28)33-26(2)24-32-39(36-29-19-11-5-12-20-29)37-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3
(5)Std. InChIKey:ABDIOITUDBUNNJ-UHFFFAOYSA-N

Flash Point: 571.3 °C at 760 mmHg
Safety Data
 

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