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Dioctyltin Dilaurate
CAS: 3648-18-8 | C40H80O4Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3648-18-8
Molecular Formula:
C40H80O4Sn
Molecular Mass:
743.79 g/mol
Names and Synonyms:
Dioctyltin Dilaurate
Stannane, dioctylbis[(1-oxododecyl)oxy]-
Stannane, bis(lauroyloxy)dioctyl-
Dioctyltin dilaurate
Tin, bis(lauroyloxy)dioctyl-
Lauric acid, dioctylstannylene deriv.
Dioctylbis[(1-oxododecyl)oxy]stannane
Dioctyldi(lauroyloxy)tin
Dioctyltin didodecanoate
Di-n-octyltin dilaurate
Dioctytin dilaurate
OT 1
OT 1 (stabilizer)
KS 1200A1
Stann SNT
U 810
Neostann U 810
Tegokat 216
ADK Stab OT 1
Dioctyltindilaureate
DOTL
OL 1
Tin dioctyldilaurate
TIB KAT 216
LZ 082
Di-n-ocytyltin dilaurate
Acima DOTL 99
Identifiers:
SMILES:
CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn+2]
InChI:
InChI=1S/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2
Key Properties
Melting Point
17-18 °C
CAS Common Chemistry
Density
1.00 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 | 743.79 g/mol | CAS Common Chemistry |
| 743.7870000000001 g/mol | RDKit | |
| 744.50785574 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.998 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O[Sn](OC(=O)CCCCCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=XQBCVRSTVUHIGH-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 17-18 °C | CAS Common Chemistry |
| Name | Dioctyltin dilaurate | CAS Common Chemistry |
| Heavy Atom Count | 45 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 30 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
| LogP | 11.295579999999992 | RDKit |
| Molar Refractivity | 196.92199999999923 | RDKit |
