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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 Weight:
262.925 g/mol
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
Identifiers:
SMILES:
CCCCC(CC)C(=O)O.[Sn]
InChI:
InChI=1S/C8H16O2.Sn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 262.925 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 264.017224452 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9066 | RDKit |
| molecular_mass | 262.93 g/mol | Legacy Database |
| density | 1.28 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tin(II)_2-ethylhexanoate None | Legacy Database |
| cas-canonical-smile | [Sn].O=C(O)C(CC)CCCC None | Legacy Database |
| cas-density | 1.28 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C8H16O2.Sn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); None | Legacy Database |
| cas-inchi-key | InChIKey=BOZRCGLDOHDZBP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 34 °C None | Legacy Database |
| cas-name | Stannous octoate None | Legacy Database |
| wikipedia-name | Tin(II) 2-ethylhexanoate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.69580000000002 | RDKit |