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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
Names and Synonyms:
Sodium Dodecylsulfonate
P 30 (surfactant)
Emal 2FG
1-Dodecanesulfonic acid, sodium salt (1:1)
1-Dodecanesulfonic acid, sodium salt
Dodecanesulfonic acid, sodium salt
Sodium laurylsulfonate
Sodium dodecylsulfonate
Sodium dodecanesulfonate
Perlan Alb
Sodium 1-dodecanesulfonate
Dodecyl sodium sulfonate
Laurylsulfonic acid sodium salt
Sodium n-dodecylsulfonate
Dodecylsulfonic acid sodium salt
n-Dodecylsulfonic acid sodium salt
Calsoft SLS 30
Acme SLS
AS
P 30
Stepanol PCK
CP 20
CP 20 (emulsifier)
DSS
Identifiers:
SMILES:
CCCCCCCCCCCCS(=O)(=O)O.[Na]
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);
Key Properties
Melting Point
>300 °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 | 273.39 g/mol | CAS Common Chemistry |
| 273.39399999999995 g/mol | RDKit | |
| 273.150034972 g/mol | RDKit | |
| 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 |
| LogP | 3.4143000000000017 | RDKit |
| Molar Refractivity | 74.01360000000005 | RDKit |
