Back to Search
Molecule
Sodium Laurate
CAS: 629-25-4 · C12H24NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 629-25-4
- Molecular Formula
- C12H24NaO2
- Molecular Mass
- 223.31 g/mol
Identifiers
CAS Registry Number
629-25-4
SMILES
CCCCCCCCCCCC(=O)O.[Na]
InChI Key
NDORGWUNFGHGKU-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);
Names and Synonyms
- Sodium Laurate Common Name
- Dodecanoic acid, sodium salt (1:1) Synonym
- Lauric acid, sodium salt Synonym
- Dodecanoic acid, sodium salt Synonym
- Sodium dodecanoate Synonym
- Sodium laurate Synonym
- C 12-98/100MY, sodium salt Synonym
- Emal 10G-3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.31 g/mol | CAS Common Chemistry |
| 223.31199999999998 g/mol | RDKit | |
| 223.312 g/mol | RDKit | |
| 224.32 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.102 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_laurate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C(O)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14); | CAS Common Chemistry |
| InChI Key | InChIKey=NDORGWUNFGHGKU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 310 °C | CAS Common Chemistry |
| Name | Sodium laurate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.6111000000000013 | RDKit |
| 3.6111 | RDKit | |
| Molar Refractivity | 65.23380000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 223.16739928799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 223.31 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
