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Molecule
Lithium 12-Hydroxystearate
CAS: 7620-77-1 · C18H36LiO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7620-77-1
- Molecular Formula
- C18H36LiO3
- Molecular Mass
- 307.42 g/mol
Identifiers
CAS Registry Number
7620-77-1
SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)O.[Li]
InChI Key
FNMGNZIEIFTAPZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);
Names and Synonyms
- Lithium 12-Hydroxystearate Common Name
- Lithium 12-hydroxystearate Synonym
- Octadecanoic acid, 12-hydroxy-, lithium salt (1:1) Synonym
- Octadecanoic acid, 12-hydroxy-, monolithium salt Synonym
- 12-Hydroxystearic acid lithium salt Synonym
- Lithium 12-hydroxyoctadecanoate Synonym
- Daiwax OHL Synonym
- OHL Synonym
- S 700H Synonym
- LS 6 Synonym
- S 7000H Synonym
- NLGI 3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.42 g/mol | CAS Common Chemistry |
| 307.42399999999986 g/mol | RDKit | |
| 307.424 g/mol | RDKit | |
| 308.432 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_12-hydroxystearate | CAS Common Chemistry |
| Canonical SMILES | [Li].O=C(O)CCCCCCCCCCC(O)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21); | CAS Common Chemistry |
| InChI Key | InChIKey=FNMGNZIEIFTAPZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C | CAS Common Chemistry |
| Name | Lithium 12-hydroxystearate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 4.922500000000004 | RDKit |
| 4.9225 | RDKit | |
| Molar Refractivity | 94.32560000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9444 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 307.28244956199995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 307.42 g/mol. Edit any field — others recompute live.
