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Molecule
Methyltriacetoxysilane
CAS: 4253-34-3 · C7H12O6Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4253-34-3
- Molecular Formula
- C7H12O6Si
- Molecular Mass
- 220.25 g/mol
Identifiers
CAS Registry Number
4253-34-3
SMILES
CC(=O)O[Si](C)(OC(C)=O)OC(C)=O
InChI Key
TVJPBVNWVPUZBM-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3
Names and Synonyms
- Methyltriacetoxysilane Synonym
- Silanetriol, 1-methyl-, 1,1,1-triacetate Synonym
- Silanetriol, methyl-, triacetate Synonym
- Triacetoxymethylsilane Synonym
- Methylsilanetriol triacetate Synonym
- Methyltrihydroxysilane triacetate Synonym
- Methyltriacetoxysilane Synonym
- K 10S Synonym
- APK 1 Synonym
- TSL 8180 Synonym
- APK 1 (silane derivative) Synonym
- NSC 139845 Synonym
- SIM 6519.0 Synonym
- SIM 6519 Synonym
- ZH 1103 Synonym
- CG 100 Synonym
- CG 100 (coupling agent) Synonym
- Nethyltriacetoxysilane Synonym
- [Diacetyloxy(methyl)silyl] acetate Synonym
- ES 15 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.25 g/mol | CAS Common Chemistry |
| 220.25299999999996 g/mol | RDKit | |
| 220.253 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.175 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O[Si](OC(=O)C)(OC(=O)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TVJPBVNWVPUZBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40.5 °C | CAS Common Chemistry |
| Name | Methyltriacetoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.9 Ų | RDKit |
| LogP | 0.24439999999999973 | RDKit |
| 0.2444 | RDKit | |
| Molar Refractivity | 46.916000000000025 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 220.040314634 g/mol | RDKit |
| Boiling Point | 87-88 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 220.25 g/mol; density = 1.180 g/mL. Edit any field — others recompute live.
