Back to Search
Molecule
Dibutyltin Diacetate
CAS: 1067-33-0 · C12H24O4Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1067-33-0
- Molecular Formula
- C12H24O4Sn
- Molecular Mass
- 351.0309999999999 g/mol
Identifiers
CAS Registry Number
1067-33-0
SMILES
CC(=O)[O-].CC(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]
InChI Key
JJLKTTCRRLHVGL-UHFFFAOYSA-L
InChI
InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
Names and Synonyms
- Dibutyltin Diacetate Synonym
- Acetic acid, 1,1′-(dibutylstannylene) ester Synonym
- Dibutyltin diacetate Synonym
- Stannane, diacetoxydibutyl- Synonym
- Stannane, bis(acetyloxy)dibutyl- Synonym
- Diacetoxydibutyltin Synonym
- Ba 2726 Synonym
- Dibutyltin acetate Synonym
- Diacetoxydibutylstannane Synonym
- T 1 (catalyst) Synonym
- T 1 Synonym
- Syl-off 23A Synonym
- NSC 8786 Synonym
- Fascat 4200 Synonym
- Metacure T 1 Synonym
- U 200 Synonym
- S-Cat 8 Synonym
- S-Cat 8F Synonym
- Fomrez SUL 3 Synonym
- Tegokat 233 Synonym
- Dibutyldiacetoxytin Synonym
- TK 14 Synonym
- Neostann U 200 Synonym
- Di-n-butyltin(II) acetate Synonym
- BNT-CAT 400 Synonym
- (Acetyloxy)dibutylstannyl acetate Synonym
- D 70 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.31 g/cm³ | CAS Common Chemistry |
| 1.31 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O[Sn](OC(=O)C)(CCCC)CCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=JJLKTTCRRLHVGL-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 10 °C | CAS Common Chemistry |
| Name | Dibutyltin diacetate | CAS Common Chemistry |
| Molecular Mass | 351.0309999999999 g/mol | RDKit |
| 352.069653948 g/mol | RDKit | |
| 351.031 g/mol | RDKit | |
| 355.062 g/mol | chempirical lib | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
| 80.26 Ų | RDKit | |
| LogP | 0.37278000000000056 | RDKit |
| 0.3728 | RDKit | |
| Molar Refractivity | 67.64600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| Exact Mass | 351.03 g/mol | CAS Common Chemistry |
| Boiling Point | 130 °C @ 2 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
Convert
Quick conversion
MW = 351.03 g/mol; density = 1.310 g/mL. Edit any field — others recompute live.
