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Lithium Stearate
CAS: 4485-12-5 | C18H36LiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4485-12-5
Molecular Formula:
C18H36LiO2
Molecular Mass:
291.42 g/mol
Names and Synonyms:
Lithium Stearate
Octadecanoic acid, lithium salt (1:1)
Stearic acid, lithium salt
Octadecanoic acid, lithium salt
Lithalure
Lithium stearate
Litholite
Stavinor 60
Lithium octadecanoate
S 7000 (fatty acid)
S 7000
S 7000F
AFCO-Chem LIS
SPL 100F
Li-St
LIC 17
Lithiumsoap 1
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)O.[Li]
InChI:
InChI=1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);
Key Properties
Melting Point
192 °C
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 | 291.42 g/mol | CAS Common Chemistry |
| 291.4249999999999 g/mol | RDKit | |
| 291.287534942 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_stearate | CAS Common Chemistry |
| Canonical SMILES | [Li].O=C(O)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20); | CAS Common Chemistry |
| InChI Key | InChIKey=FSWZDJUNHJMBSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192 °C | CAS Common Chemistry |
| Name | Lithium stearate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 5.951700000000006 | RDKit |
| Molar Refractivity | 92.93580000000007 | RDKit |
