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Molecule
Sodium Dodecylsulfonate
CAS: 2386-53-0 · C12H26NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2386-53-0
- Molecular Formula
- C12H26NaO3S
- Molecular Mass
- 273.39 g/mol
Identifiers
CAS Registry Number
2386-53-0
SMILES
CCCCCCCCCCCCS(=O)(=O)O.[Na]
InChI Key
NGPZJQXXJCDBDS-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);
Names and Synonyms
- Sodium Dodecylsulfonate Common Name
- P 30 (surfactant) Synonym
- Emal 2FG Synonym
- 1-Dodecanesulfonic acid, sodium salt (1:1) Synonym
- 1-Dodecanesulfonic acid, sodium salt Synonym
- Dodecanesulfonic acid, sodium salt Synonym
- Sodium laurylsulfonate Synonym
- Sodium dodecylsulfonate Synonym
- Sodium dodecanesulfonate Synonym
- Perlan Alb Synonym
- Sodium 1-dodecanesulfonate Synonym
- Dodecyl sodium sulfonate Synonym
- Laurylsulfonic acid sodium salt Synonym
- Sodium n-dodecylsulfonate Synonym
- Dodecylsulfonic acid sodium salt Synonym
- n-Dodecylsulfonic acid sodium salt Synonym
- Calsoft SLS 30 Synonym
- Acme SLS Synonym
- AS Synonym
- P 30 Synonym
- Stepanol PCK Synonym
- CP 20 Synonym
- CP 20 (emulsifier) Synonym
- DSS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.39 g/mol | CAS Common Chemistry |
| 273.39399999999995 g/mol | RDKit | |
| 273.394 g/mol | RDKit | |
| 274.395 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15); | CAS Common Chemistry |
| InChI Key | InChIKey=NGPZJQXXJCDBDS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Sodium dodecylsulfonate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 3.4143000000000017 | RDKit |
| 3.4143 | RDKit | |
| Molar Refractivity | 74.01360000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 273.150034972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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 = 273.39 g/mol. Edit any field — others recompute live.
