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Basic Information
CAS No.: 1438-82-0
Name: PENTAMETHYLDISILOXANE
Molecular Structure:
Molecular Structure of 1438-82-0 (PENTAMETHYLDISILOXANE)
Formula: C5H16OSi2
Molecular Weight: 148.352
Synonyms: Disiloxane,pentamethyl- (6CI,7CI,8CI,9CI);1,1,1,3,3-Pentamethyldisiloxane;1,1,3,3,3-Pentamethyldisiloxane;Dimethyl(trimethylsiloxy)silane;Dimethyl(trimethylsilyloxy)silane;Pentamethyldisiloxane;Trimethylsiloxydimethylsilane;
EINECS: 215-873-5
Density: 0.760 g/mL at 20 °C(lit.)
Boiling Point: 84.5 °C at 760 mmHg
Flash Point: 4.9 °C
Solubility: Not miscible or difficult to mix in water.
Hazard Symbols: FlammableF
Risk Codes: 11
Safety: 16-23-24/25
Transport Information: UN 1993
PSA: 9.23000
LogP: 1.82130
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    Disiloxane, 1,1,1,3,3-pentamethyl-

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Specification

This chemical is called Disiloxane, 1,1,1,3,3-pentamethyl-, and it can also be named as Pentamethyldisiloxane. With the molecular formula of C5H16OSi2, its molecular weight is 148.35. The CAS registry number of this chemical is 1438-82-0. In addition, this chemical should be sealed in the cool and dry place, away from oxides, water and moisture.  

Other characteristics of the Disiloxane, 1,1,1,3,3-pentamethyl- can be summarised as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 286.56; (6)ACD/BCF (pH 7.4): 286.56; (7)ACD/KOC (pH 5.5): 1997.47; (8)ACD/KOC (pH 7.4): 1997.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Flash Point: 4.9 °C; (14)Enthalpy of Vaporization: 31.15 kJ/mol; (15)Boiling Point: 84.5 °C at 760 mmHg; (16)Vapour Pressure: 80.5 mmHg at 25°C.

Production method of this chemical: The Disiloxane, 1,1,1,3,3-pentamethyl- could be obtained by the reactant of methoxypentamethyldisiloxane. This reaction needs the reagent of iBu2AlH, and the solvent of diethyl ether. The yield is 92 %.

Uses of this chemical: The Disiloxane, 1,1,1,3,3-pentamethyl- could react with 1,4-dichloro-but-2-yne, and obtain the 1,4-Dichlor-2-(pentamethyldisiloxanyl)but-2-ene. This reaction needs the reagent of Platin-Divinyltetramethyldisiloxan-Komplex. The yield is 60 %. In addition, this reaction should be taken for 2 hours at the temperature of 160 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. Keep it away from sources of ignition - No smoking. Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: O([Si](C)(C)C)[SiH](C)C
2.InChI: InChI=1/C5H16OSi2/c1-7(2)6-8(3,4)5/h7H,1-5H3
3.InChIKey: AOJHDNSYXUZCCE-UHFFFAOYAZ