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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
Hexanoic acid, 2-ethyl-, tin(2+) salt (2:1)
Hexanoic acid, 2-ethyl-, tin(2+) salt
Stannous 2-ethylhexanoate
Stannous 2-ethylhexoate
Tin(II) 2-ethylhexanoate
Tin(2+) 2-ethylhexanoate
Nuocure 28
Stannous octoate
Tin octoate
Tin dioctoate
Tin bis(2-ethylcaproate)
Stannous 2-ethylcaproate
T 10 (catalyst)
T 10
Tin bis(2-ethylhexanoate)
T 9
Cata-Chek 860
Fascat 2003
D 19
Stanoct T 90
Dabco T 16
Stannous(II) ethylhexanoate
Stannous dioctanoate
Neostann U 28
Stannous octanoate
Stannous caprylate
Stanoct
Kosmos 29
K 29
Dabco T 9
Tegokat 129
PC CAT T 9
U 28
XY 70
HMT 9
Dabco T 10
Bis(2-ethylhexanoate) tin
NSC 75857
2-Ethylhexanoic acid tin(2+) salt
Desmorapid SO
Kosmos K 5N
KCS 405T
S 93-5037
T-Cat 110
Niax D 19
BTN-Cat 110
Dabco DC 21
XY 70 (catalyst)
Neostann E 80
Addocat SO
Kosmos 10P
Borchi Kat 28
K 5N
Reaxis C 129
Metacure T 9
Stannous iosoctanoate
B 23612
T 19
PUB 350
T 9 (catalyst)
Menhover S 19
Menhover Tin S 19
S 19
A 67510
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | 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 | Legacy Database | |
| cas-canonical-smile | [Sn].O=C(O)C(CC)CCCC | Legacy Database | |
| cas-density | 1.28 g/cm3 | 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); | Legacy Database | |
| cas-inchi-key | InChIKey=BOZRCGLDOHDZBP-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 34 °C | Legacy Database | |
| cas-name | Stannous octoate | Legacy Database | |
| wikipedia-name | Tin(II) 2-ethylhexanoate | Legacy Database | |
| LogP | 1.9066 | RDKit | |
| Molecular | Molecular Weight | 262.925 g/mol | RDKit |
| Exact | Exact Molecular Weight | 264.017224452 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 5 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 37.3 Ų | RDKit |
| Molar | Molar Refractivity | 46.69580000000002 | RDKit |
