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CAS No.: | 5931-17-9 |
---|---|
Name: | 1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane |
Article Data: | 9 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-36 |
PSA: | 49.69000 |
LogP: | 2.95820 |
4-(dimethylsiloxy)-1-butene
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
Conditions | Yield |
---|---|
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 |
1,3-bis(4-trimethylsiloxybutyl)tetramethyldisiloxane
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
Conditions | Yield |
---|---|
With methanol for 3h; Ambient temperature; | 84% |
4-acetoxy-n-butyldimethylchlorosilane
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
Conditions | Yield |
---|---|
With acetic acid In water; toluene pH=2; | 83.7% |
Conditions | Yield |
---|---|
With potassium hydroxide; acetylene In water at 110℃; under 11250.9 Torr; for 3h; | 50% |
With hydrogenchloride; acetone |
1,3-bis(4-trimethylsiloxybutyl)tetramethyldisiloxane
A
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
B
δ-hydroxybutylpentamethyldisiloxane
Conditions | Yield |
---|---|
With hydrogenchloride In diethyl ether at 25℃; for 15h; | A 47% B 29% |
2,2-Dimethyl-1-oxa-2-silacyclohexan
Hexamethyldisiloxane
A
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
B
δ-hydroxybutylpentamethyldisiloxane
Conditions | Yield |
---|---|
With potassium hydroxide; acetylene In water at 120℃; under 12000.9 Torr; for 4h; | A 3.5 g B 37% |
tetrahydrofuran
dimethylsilicon dichloride
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
Conditions | Yield |
---|---|
(i) MgBr2, Mg, (ii) aq. HCl; Multistep reaction; |
2,2-Dimethyl-1-oxa-2-silacyclohexan
Trimethylsilanol
A
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
B
δ-hydroxybutylpentamethyldisiloxane
Conditions | Yield |
---|---|
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 |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium 2: aqueous HCl; acetone View Scheme |
1,3-bis(4-hydroxybutyl)tetramethyldisiloxane
dimethoxy(methyl)phenylsilane
A
methanol
Conditions | Yield |
---|---|
With hydrogenchloride In water for 4.5h; Heating / reflux; | A n/a B 100% |
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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