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Sodium Palmitate
CAS: 408-35-5 | C16H32NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
408-35-5
Molecular Formula:
C16H32NaO2
Molecular Mass:
279.42 g/mol
Names and Synonyms:
Sodium Palmitate
Hexadecanoic acid, sodium salt (1:1)
Palmitic acid, sodium salt
Hexadecanoic acid, sodium salt
Sodium palmitate
Sodium pentadecanecarboxylate
Sodium hexadecanoate
C-Lube 16
Nonsoul PN 1
PN 1
C 16-98/100MY, sodium salt
C16 Soap
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)O.[Na]
InChI:
InChI=1S/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);
Key Properties
Melting Point
270 °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 | 279.42 g/mol | CAS Common Chemistry |
| 279.4199999999999 g/mol | RDKit | |
| 279.229999544 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18); | CAS Common Chemistry |
| InChI Key | InChIKey=ZUWJMSFTDBLXRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C | CAS Common Chemistry |
| Name | Sodium palmitate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 5.171500000000004 | RDKit |
| Molar Refractivity | 83.70180000000006 | RDKit |
