-
Name
Octadecyltrimethoxysilane
- EINECS 221-339-2
- CAS No. 3069-42-9
- Article Data7
- CAS DataBase
- Density 0.871 g/cm3
- Solubility 190-437000ng/L at 20℃
- Melting Point 16-17 °C(lit.)
- Formula C21H46O3Si
- Boiling Point 294.2 °C at 760 mmHg
- Molecular Weight 374.68
- Flash Point 140 °C
- Transport Information
- Appearance Colorless transparent liquid
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms AY43-218MC;LSX 6817;M 1;M 1 (silane);Octadecyltrimethoxysilane;Stearyltrimethoxysilane;TSL 8185;TSL 8186;Trimethoxyoctadecylsilane;n-Octadecyltrimethoxysilane;Octadecyl-trimethoxysilane;
- PSA 27.69000
- LogP 7.12600
Synthetic route
| Conditions | Yield |
|---|---|
| With 2C4H9O(1-)*Ni(2+)*(x)KCl In tetrahydrofuran at 20℃; for 12h; Glovebox; Inert atmosphere; | 84% |
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-
865-33-8
potassium methanolate
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-
105116-02-7
Trihydroxyoctadecylsilan
-
-
3069-42-9
n-octadecyltrimethoxysilane
| Conditions | Yield |
|---|---|
| In hexane at 20℃; for 120h; Etherification; | 61% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 93 percent / H2O; NaHCO3 / diethyl ether / 1 h / -10 - 10 °C 2: 61 percent / hexane / 120 h / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 1h; |
| Conditions | Yield |
|---|---|
| In Petroleum ether at 25 - 30℃; for 7h; |
-
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102-71-6
triethanolamine
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-
3069-42-9
n-octadecyltrimethoxysilane
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18768-04-2
1-octadecyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
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78-10-4
tetraethoxy orthosilicate
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13822-56-5
3-(trimethoxysilyl)propan-1-amine
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3069-42-9
n-octadecyltrimethoxysilane
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112926-00-8, 7631-86-9
silica gel
| Conditions | Yield |
|---|---|
| With CoFe2O4 or FeCo In isopropyl alcohol Sonication; dispersing of CoFe2O4 (or FeCo) in 2-propanol soln., sonication for 0.5 h, injecting of TEOS and 25% NH3*H2O soln. at 60°C, addn. of (3-aminopropyl)trimethoxysilane, sonication for 0.5 h, addn. of TEOS and (n-octadecyl)trimethoxysilane, annealing; |
-
-
78-10-4
tetraethoxy orthosilicate
-
-
3069-42-9
n-octadecyltrimethoxysilane
-
-
112926-00-8, 7631-86-9
silica gel
| Conditions | Yield |
|---|---|
| Stage #1: tetraethoxy orthosilicate; n-octadecyltrimethoxysilane With ammonium hydroxide In ethanol; water Flow reactor; Inert atmosphere; Stage #2: at 550℃; for 6h; Calcination; |
| Conditions | Yield |
|---|---|
| Stage #1: tetraethoxy orthosilicate; n-octadecyltrimethoxysilane With ammonia In ethanol; water at 29.84℃; for 1h; Stage #2: With sodium carbonate In water for 0.5h; Stage #3: at 549.84℃; for 6h; Concentration; Time; Calcination; |
Octadecyltrimethoxysilane Specification
The Silane,trimethoxyoctadecyl-, with the CAS registry number 3069-42-9, is also known as Chloro(dodecyl)dimethylsilane. It belongs to the product categories of Alkyl; Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Silane Coupling Agents (Intermediates); Si-O Compounds; Trialkoxysilanes; Alkoxy Silanes; Hydrophobing Agents. Its EINECS registry number is 221-339-2. Its IUPAC name is called trimethoxy(octadecyl)silane. This chemcial's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical is colorless transparent liquid which should be closed in a cool dry environment.
Physical properties of Silane,trimethoxyoctadecyl-: (1)ACD/LogP: 8.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.02; (4)ACD/LogD (pH 7.4): 8.02; (5)ACD/BCF (pH 5.5): 733088.13; (6)ACD/BCF (pH 7.4): 733088.13; (7)ACD/KOC (pH 5.5): 549349.38; (8)ACD/KOC (pH 7.4): 549349.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.437; (13)Molar Refractivity: 80.47 cm3; (14)Molar Volume: 306.7 cm3; (15)Surface Tension: 25.1 dyne/cm; (16)Density: 0.857 g/cm3; (17)Flash Point: 143.2 °C; (18)Enthalpy of Vaporization: 51.02 kJ/mol; (19)Boiling Point: 292 °C at 760 mmHg; (20)Vapour Pressure: 0.00329 mmHg at 25°C.
Preparation: this chemical can be prepared by methanol; potassium salt and Trihydroxyoctadecylsilan. This reaction is a kind of Etherification. It will need solvent hexane. The reaction time is 5 days with reaction temperature of 20 ℃. The yield is about 61%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
(2)InChI: InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3
(3)InChIKey: SLYCYWCVSGPDFR-UHFFFAOYSA-N
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