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Lithium 12-Hydroxystearate
CAS: 7620-77-1 | C18H36LiO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7620-77-1
Molecular Formula:
C18H36LiO3
Molecular Mass:
307.42 g/mol
Names and Synonyms:
Lithium 12-Hydroxystearate
Octadecanoic acid, 12-hydroxy-, lithium salt (1:1)
Octadecanoic acid, 12-hydroxy-, monolithium salt
Lithium 12-hydroxystearate
12-Hydroxystearic acid lithium salt
Lithium 12-hydroxyoctadecanoate
Daiwax OHL
OHL
S 700H
LS 6
S 7000H
NLGI 3
Identifiers:
SMILES:
CCCCCCC(O)CCCCCCCCCCC(=O)O.[Li]
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);
Key Properties
Melting Point
200 °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 | 307.42 g/mol | CAS Common Chemistry |
| 307.42399999999986 g/mol | RDKit | |
| 307.28244956199995 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 94.32560000000007 | RDKit |
