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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:
351.03 g/mol
Names and Synonyms:
Dibutyltin Diacetate
Acetic acid, 1,1′-(dibutylstannylene) ester
Dibutyltin diacetate
Stannane, diacetoxydibutyl-
Stannane, bis(acetyloxy)dibutyl-
Diacetoxydibutyltin
Ba 2726
Dibutyltin acetate
Diacetoxydibutylstannane
T 1 (catalyst)
T 1
Syl-off 23A
NSC 8786
Fascat 4200
Metacure T 1
U 200
S-Cat 8
S-Cat 8F
Fomrez SUL 3
Tegokat 233
Dibutyldiacetoxytin
TK 14
Neostann U 200
Di-n-butyltin(II) acetate
BNT-CAT 400
(Acetyloxy)dibutylstannyl acetate
D 70
Identifiers:
SMILES:
CC(=O)[O-].CC(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]
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
Key Properties
Boiling Point
130 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
10 °C
CAS Common Chemistry
Density
1.31 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 | 351.03 g/mol | CAS Common Chemistry |
| 351.0309999999999 g/mol | RDKit | |
| 352.069653948 g/mol | RDKit | |
| Density | 1.31 g/cm³ | CAS Common Chemistry |
| 1.31 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 130 °C @ Press: 2 Torr | 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 |
| 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 |
| LogP | 0.37278000000000056 | RDKit |
| Molar Refractivity | 67.64600000000004 | RDKit |
