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Octadecyltrimethoxysilane
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Name

Octadecyltrimethoxysilane

 EINECS 221-339-2
CAS No. 3069-42-9 Density 0.871 g/cm3
PSA 27.69000 LogP 7.12600
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 N/A Appearance Colorless transparent liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3069-42-9 (Octadecyltrimethoxysilane) Hazard Symbols IrritantXi
Synonyms

AY43-218MC;LSX 6817;M 1;M 1 (silane);Octadecyltrimethoxysilane;Stearyltrimethoxysilane;TSL 8185;TSL 8186;Trimethoxyoctadecylsilane;n-Octadecyltrimethoxysilane;Octadecyl-trimethoxysilane;

Article Data 7

Octadecyltrimethoxysilane Synthetic route

2487-90-3

trimethoxysilane

112-88-9

octadec-1-ene

3069-42-9

n-octadecyltrimethoxysilane

Conditions
ConditionsYield
With 2C4H9O(1-)*Ni(2+)*(x)KCl In tetrahydrofuran at 20℃; for 12h; Glovebox; Inert atmosphere;84%
865-33-8

potassium methanolate

105116-02-7

Trihydroxyoctadecylsilan

3069-42-9

n-octadecyltrimethoxysilane

Conditions
ConditionsYield
In hexane at 20℃; for 120h; Etherification;61%
112-04-9

octadecyltrichlorosilane

3069-42-9

n-octadecyltrimethoxysilane

Conditions
ConditionsYield
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
67-56-1

methanol

C18H40Si*TiO2

3069-42-9

n-octadecyltrimethoxysilane

Conditions
ConditionsYield
With hydrogenchloride In water for 1h;
67-56-1

methanol

112-04-9

octadecyltrichlorosilane

3069-42-9

n-octadecyltrimethoxysilane

Conditions
ConditionsYield
In Petroleum ether at 25 - 30℃; for 7h;
102-71-6

triethanolamine

3069-42-9

n-octadecyltrimethoxysilane

18768-04-2

1-octadecyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane

78-10-4

tetraethoxy orthosilicate

13822-56-5

3-(trimethoxysilyl)propan-1-amine

ammonium hydroxide

3069-42-9

n-octadecyltrimethoxysilane

112926-00-8, 7631-86-9

silica gel

Conditions
ConditionsYield
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
ConditionsYield
Stage #1: tetraethoxy orthosilicate; n-octadecyltrimethoxysilane With ammonium hydroxide In ethanol; water Flow reactor; Inert atmosphere;
Stage #2: at 550℃; for 6h; Calcination;
78-10-4

tetraethoxy orthosilicate

3069-42-9

n-octadecyltrimethoxysilane

silica

Conditions
ConditionsYield
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%.

 

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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