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Molecule
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
Identifiers
CAS Registry Number
4485-12-5
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.[Li]
InChI Key
FSWZDJUNHJMBSQ-UHFFFAOYSA-N
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);
Names and Synonyms
- Lithium Stearate Common Name
- Octadecanoic acid, lithium salt (1:1) Synonym
- Stearic acid, lithium salt Synonym
- Octadecanoic acid, lithium salt Synonym
- Lithalure Synonym
- Lithium stearate Synonym
- Litholite Synonym
- Stavinor 60 Synonym
- Lithium octadecanoate Synonym
- S 7000 (fatty acid) Synonym
- S 7000 Synonym
- S 7000F Synonym
- AFCO-Chem LIS Synonym
- SPL 100F Synonym
- Li-St Synonym
- LIC 17 Synonym
- Lithiumsoap 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.42 g/mol | CAS Common Chemistry |
| 291.4249999999999 g/mol | RDKit | |
| 291.425 g/mol | RDKit | |
| 292.433 g/mol | chempirical lib | |
| 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 |
| 5.9517 | RDKit | |
| 6.51 | chempirical lib | |
| Molar Refractivity | 92.93580000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 291.287534942 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
External Resources
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MW = 291.42 g/mol. Edit any field — others recompute live.
