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Tetrabutoxysilane
CAS: 4766-57-8 | C16H36O4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4766-57-8
Molecular Formula:
C16H36O4Si
Molecular Mass:
320.55 g/mol
Names and Synonyms:
Tetrabutoxysilane
Silicic acid (H4SiO4), tetrabutyl ester
Butyl silicate ((BuO)4Si)
Silane, tetrabutoxy-
Tetrabutoxysilane
Tetra-n-butoxysilane
Silicon tetrabutoxide
Tetrabutyl orthosilicate
Tetrabutyl silicate
Silicon butoxide
MKC Silicate BTS
NSC 89762
Butyl orthosilicate
TBOS
TBOS (silicate)
Tetrabuthyl orthosilicate
T 1126
Tetra-n-butyl orthosilicate
Identifiers:
SMILES:
CCCCO[Si](OCCCC)(OCCCC)OCCCC
InChI:
InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3
Key Properties
Boiling Point
115 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
<-80 °C
CAS Common Chemistry
Density
0.90 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.55 g/mol | CAS Common Chemistry |
| 320.54600000000005 g/mol | RDKit | |
| 320.238286162 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.899 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 115 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CCCC)[Si](OCCCC)(OCCCC)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UQMOLLPKNHFRAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-80 °C | CAS Common Chemistry |
| Name | Tetrabutoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 4.688800000000005 | RDKit |
| Molar Refractivity | 89.19400000000007 | RDKit |
