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Hexadecyltrimethoxysilane

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Name

Hexadecyltrimethoxysilane

EINECS 240-464-3
CAS No. 16415-12-6 Density 0.873 g/cm3
PSA 27.69000 LogP 6.34580
Solubility 2μg/L at 20℃ Melting Point -1 °C
Formula C19H42O3Si Boiling Point 275.2 °C at 760 mmHg
Molecular Weight 346.626 Flash Point 135.8 °C
Transport Information N/A Appearance Colorless transparent liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16415-12-6 (HEXADECYLTRIMETHOXYSILANE) Hazard Symbols IrritantXi
Synonyms

AY43-216MC;Dynasylan 9116;Si 116;Silane 116;VP-Si116;n-Hexadecyltrimethoxysilane;

Article Data 4

Hexadecyltrimethoxysilane Synthetic route

5894-60-0

trichloro-hexadecyl-silane

16415-12-6

hexadecyltrimethoxysilane

Conditions
ConditionsYield
In methanol
16415-12-6

hexadecyltrimethoxysilane

408-38-8

1-fluorohexadecane

Conditions
ConditionsYield
With 1,1,1,3',3',3'-hexafluoro-propanol; iodosylbenzene; DMPU-HF; cesium fluoride In 1,4-dioxane at 25℃; for 12h; Glovebox;74%
16415-12-6

hexadecyltrimethoxysilane

120-80-9

benzene-1,2-diol

7087-68-5

N-ethyl-N,N-diisopropylamine

diisopropylammonium bis(catecholato)hexadecylsilic

Conditions
ConditionsYield
Stage #1: benzene-1,2-diol; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere; Reflux;
Stage #2: hexadecyltrimethoxysilane In tetrahydrofuran at 20℃; Inert atmosphere; Reflux;
71%

Hexadecyltrimethoxysilane Specification

The Hexadecyltrimethoxysilane with its cas register number is 16415-12-6. It also can be called as Silane, hexadecyltrimethoxy- and the IUPAC Name about this chemical is hexadecyl(trimethoxy)silane. Classification code about this chemical is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Hexadecyltrimethoxysilane are: (1)ACD/LogP: 8.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.11; (4)ACD/LogD (pH 7.4): 8.11; (5)ACD/BCF (pH 5.5): 853134.31; (6)ACD/BCF (pH 7.4): 853134.31; (7)ACD/KOC (pH 5.5): 612337.88; (8)ACD/KOC (pH 7.4): 612337.88; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 18; (11)Polar Surface Area: 27.69Å2; (12)Index of Refraction: 1.437; (13)Molar Refractivity: 104.02 cm3; (14)Molar Volume: 396.9 cm3; (15)Polarizability: 41.23x10-24cm3; (16)Surface Tension: 27.1 dyne/cm; (17)Enthalpy of Vaporization: 49.29 kJ/mol; (18)Vapour Pressure: 0.0087 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. 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)Canonical SMILES: CCCCCCCCCCCCCCCC[Si](OC)(OC)OC
(2)InChI: InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3
(3)InChIKey: RSKGMYDENCAJEN-UHFFFAOYSA-N

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