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Tin(Ii) 2-Ethylhexanoate
CAS: 301-10-0 | C8H16O2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 301-10-0
- Molecular Formula
- C8H16O2Sn
- Molecular Mass
- 262.93 g/mol
Identifiers
CAS Registry Number
301-10-0
SMILES
CCCCC(CC)C(=O)O.[Sn]
InChI Key
BOZRCGLDOHDZBP-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Sn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Names and Synonyms
- Tin(Ii) 2-Ethylhexanoate Synonym
- Hexanoic acid, 2-ethyl-, tin(2+) salt (2:1) Synonym
- Hexanoic acid, 2-ethyl-, tin(2+) salt Synonym
- Stannous 2-ethylhexanoate Synonym
- Stannous 2-ethylhexoate Synonym
- Tin(II) 2-ethylhexanoate Synonym
- Tin(2+) 2-ethylhexanoate Synonym
- Nuocure 28 Synonym
- Stannous octoate Synonym
- Tin octoate Synonym
- Tin dioctoate Synonym
- Tin bis(2-ethylcaproate) Synonym
- Stannous 2-ethylcaproate Synonym
- T 10 (catalyst) Synonym
- T 10 Synonym
- Tin bis(2-ethylhexanoate) Synonym
- T 9 Synonym
- Cata-Chek 860 Synonym
- Fascat 2003 Synonym
- D 19 Synonym
- Stanoct T 90 Synonym
- Dabco T 16 Synonym
- Stannous(II) ethylhexanoate Synonym
- Stannous dioctanoate Synonym
- Neostann U 28 Synonym
- Stannous octanoate Synonym
- Stannous caprylate Synonym
- Stanoct Synonym
- Kosmos 29 Synonym
- K 29 Synonym
- Dabco T 9 Synonym
- Tegokat 129 Synonym
- PC CAT T 9 Synonym
- U 28 Synonym
- XY 70 Synonym
- HMT 9 Synonym
- Dabco T 10 Synonym
- Bis(2-ethylhexanoate) tin Synonym
- NSC 75857 Synonym
- 2-Ethylhexanoic acid tin(2+) salt Synonym
- Desmorapid SO Synonym
- Kosmos K 5N Synonym
- KCS 405T Synonym
- S 93-5037 Synonym
- T-Cat 110 Synonym
- Niax D 19 Synonym
- BTN-Cat 110 Synonym
- Dabco DC 21 Synonym
- XY 70 (catalyst) Synonym
- Neostann E 80 Synonym
- Addocat SO Synonym
- Kosmos 10P Synonym
- Borchi Kat 28 Synonym
- K 5N Synonym
- Reaxis C 129 Synonym
- Metacure T 9 Synonym
- Stannous iosoctanoate Synonym
- B 23612 Synonym
- T 19 Synonym
- PUB 350 Synonym
- T 9 (catalyst) Synonym
- Menhover S 19 Synonym
- Menhover Tin S 19 Synonym
- S 19 Synonym
- A 67510 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.93 g/mol | CAS Common Chemistry |
| 264.017224452 g/mol | RDKit | |
| 262.925 g/mol | RDKit | |
| 264.94 g/mol | chempirical lib | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.28 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tin(II)_2-ethylhexanoate | CAS Common Chemistry |
| Canonical SMILES | [Sn].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Sn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=BOZRCGLDOHDZBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | Stannous octoate | CAS Common Chemistry |
| Tin(II) 2-ethylhexanoate | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9066 | RDKit |
| Molar Refractivity | 46.69580000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 262.925 g/mol | RDKit |
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.
