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5931-17-9

Basic Information
CAS No.: 5931-17-9
Name: 1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane
Article Data: 9
Molecular Structure:
Molecular Structure of 5931-17-9 (1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane)
Formula: C12H30O3Si2
Molecular Weight: 278.539
Synonyms: 6-Oxa-5,7-disilaundecane-1,11-diol,5,5,7,7-tetramethyl- (6CI,7CI,8CI);1,3-Bis(4-hydroxybutyl)-1,1,3,3-tetramethyldisiloxane;1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane;
Density: 0.93 g/cm3
Melting Point: 139 °C
Boiling Point: 306.2 °C at 760 mmHg
Flash Point: 110°C
Appearance: Clear to straw liquid with mild odor
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39-36
PSA: 49.69000
LogP: 2.95820
Synthetic route
23483-24-1

4-(dimethylsiloxy)-1-butene

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

Conditions
ConditionsYield
Stage #1: 4-(dimethylsiloxy)-1-butene With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex; triethylamine In isopropyl alcohol at 90℃; for 10h;
Stage #2: With hydrogenchloride; water at 90℃; for 10h;
86.37%
With sodium hydroxide
113425-96-0

1,3-bis(4-trimethylsiloxybutyl)tetramethyldisiloxane

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

Conditions
ConditionsYield
With methanol for 3h; Ambient temperature;84%
70761-34-1

4-acetoxy-n-butyldimethylchlorosilane

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

Conditions
ConditionsYield
With acetic acid In water; toluene pH=2;83.7%
5833-47-6

2,2-Dimethyl-1-oxa-2-silacyclohexan

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

Conditions
ConditionsYield
With potassium hydroxide; acetylene In water at 110℃; under 11250.9 Torr; for 3h;50%
With hydrogenchloride; acetone
113425-96-0

1,3-bis(4-trimethylsiloxybutyl)tetramethyldisiloxane

A

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

B

74970-78-8

δ-hydroxybutylpentamethyldisiloxane

Conditions
ConditionsYield
With hydrogenchloride In diethyl ether at 25℃; for 15h;A 47%
B 29%
5833-47-6

2,2-Dimethyl-1-oxa-2-silacyclohexan

107-46-0

Hexamethyldisiloxane

A

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

B

74970-78-8

δ-hydroxybutylpentamethyldisiloxane

Conditions
ConditionsYield
With potassium hydroxide; acetylene In water at 120℃; under 12000.9 Torr; for 4h;A 3.5 g
B 37%
109-99-9

tetrahydrofuran

75-78-5

dimethylsilicon dichloride

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

Conditions
ConditionsYield
(i) MgBr2, Mg, (ii) aq. HCl; Multistep reaction;
5833-47-6

2,2-Dimethyl-1-oxa-2-silacyclohexan

1066-40-6

Trimethylsilanol

A

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

B

74970-78-8

δ-hydroxybutylpentamethyldisiloxane

Conditions
ConditionsYield
With hydrogenchloride at 90℃; for 2h;A 1.1 g
B n/a
With hydrogenchloride at 90℃; for 2h;A n/a
B 3.5 g
1002-04-6

chloro(4-chlorobutoxy)dimethylsilane

5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium
2: aqueous HCl; acetone
View Scheme
5931-17-9

1,3-bis(4-hydroxybutyl)tetramethyldisiloxane

3027-21-2

dimethoxy(methyl)phenylsilane

A

67-56-1

methanol

B

hydroxybutyl-terminated polymethylsiloxane with fifty percent phenyl content

hydroxybutyl-terminated polymethylsiloxane with fifty percent phenyl content

Conditions
ConditionsYield
With hydrogenchloride In water for 4.5h; Heating / reflux;A n/a
B 100%
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Specification

The 1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane with its cas register number is 5931-17-9. It also can be called as 1,3-Bis(4-hydroxybutyl)-1,1,3,3-tetramethyldisiloxane and the Systematic name about this chemical is 4,4'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dibutan-1-ol. It belongs to the following product categories, such as Si (Classes of Silicon Compounds), Siloxanes, Si-O Compounds and so on.

Physical properties about 1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane are: (1)ACD/LogP: 3.99; (2)ACD/LogD (pH 5.5): 3.99; (3)ACD/LogD (pH 7.4): 3.99; (4)ACD/BCF (pH 5.5): 630.35; (5)ACD/BCF (pH 7.4): 630.35; (6)ACD/KOC (pH 5.5): 3511.92; (7)ACD/KOC (pH 7.4): 3511.92; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 27.69Å2; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 79.89 cm3; (14)Molar Volume: 299.4 cm3; (15)Polarizability: 31.67x10-24cm3; (16)Surface Tension: 26.7 dyne/cm; (17)Enthalpy of Vaporization: 63.4 kJ/mol; (18)Boiling Point: 306.2 °C at 760 mmHg; (19)Vapour Pressure: 7.31E-05 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O([Si](C)(CCCCO)C)[Si](CCCCO)(C)C
(2)InChI: InChI=1/C12H30O3Si2/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14/h13-14H,5-12H2,1-4H3
(3)InChIKey: OWJKJLOCIDNNGJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H30O3Si2/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14/h13-14H,5-12H2,1-4H3
(5)Std. InChIKey: OWJKJLOCIDNNGJ-UHFFFAOYSA-N