Name: 3,5-DIPHENYLOCTAMETHYLTETRASILOXANE
SKU: 13270-97-8

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Basic Information

Molecular Structure:
CAS No.:	13270-97-8
Name:	3,5-DIPHENYLOCTAMETHYLTETRASILOXANE
Article Data:	2

Formula:	C₂₀H₃₄O₃Si₄
Molecular Weight:	434.82
Synonyms:	1,1,1,3,5,7,7,7-Octamethyl-3,5-diphenyltetrasiloxane;
Density:	0.98 g/cm³
Melting Point:	- 40 °C
Boiling Point:	389.3 °C at 760 mmHg
Flash Point:	164.6 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	27.69000
LogP:	4.66440

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Specification

The Tetrasiloxane,1,1,1,3,5,7,7,7-octamethyl-3,5-diphenyl-, with the CAS registry number of 13270-97-8, is also known as Benzene, 1,1'-[1,3-dimethyl-1,3-bis[(trimethylsilyl)oxy]-1,3-disiloxanediyl]bis-. Its molecular formula is C₂₀H₃₄O₃Si₄ and molecular weight is 434.82. What's more, its IUPAC name is Trimethyl-[methyl-(methyl-phenyl-trimethylsilyloxysilyl)oxy-phenylsilyl]oxysilane.

Physical properties about the Tetrasiloxane,1,1,1,3,5,7,7,7-octamethyl-3,5-diphenyl- are: (1)ACD/LogP: 10.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.03; (4)ACD/LogD (pH 7.4): 10.03; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6794099; (8)ACD/KOC (pH 7.4): 6794099; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 128.75 cm³; (15)Molar Volume: 441.2 cm³; (16)Surface Tension: 26.3 dyne/cm; (17)Density: 0.98 g/cm³; (18)Flash Point: 164.6 °C; (19)Enthalpy of Vaporization: 61.36 kJ/mol; (20)Boiling Point: 389.3 °C at 760 mmHg; (21)Vapour Pressure: 6.46E-06 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Chloro-trimethyl-silane with 1,1,1,3,5,5,5-Heptamethyl-3-phenyl-trisiloxane. The reaction needs reagent H₂O and solvent Toluene. The reaction time is 27 h with reaction temperature of 20 °C. The yield is about 15 %.

The Tetrasiloxane,1,1,1,3,5,7,7,7-octamethyl-3,5-diphenyl- can be obtained by Chloro-trimethyl-silane and 1,1,1,3,5,5,5-Heptamethyl-3-phenyl-trisiloxane

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O([Si](O[Si](C)(C)C)(c1ccccc1)C)[Si](O[Si](C)(C)C)(c2ccccc2)C
(2) InChI: InChI=1/C20H34O3Si4/c1-24(2,3)21-26(7,19-15-11-9-12-16-19)23-27(8,22-25(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3
(3) InChIKey: MRUHXDZUINGBFB-UHFFFAOYAK