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Molecule
Sodium Decyl Sulfate
CAS: 142-87-0 · C10H22NaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-87-0
- Molecular Formula
- C10H22NaO4S
- Molecular Mass
- 261.34 g/mol
Identifiers
CAS Registry Number
142-87-0
SMILES
CCCCCCCCCCOS(=O)(=O)O.[Na]
InChI Key
IFWQJLOEDLBVJO-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);
Names and Synonyms
- Sodium Decyl Sulfate Common Name
- Sulfuric acid, monodecyl ester, sodium salt (1:1) Synonym
- Decyl sodium sulfate Synonym
- Sulfuric acid, monodecyl ester, sodium salt Synonym
- Compound 132D Synonym
- Decyl sulfate sodium salt Synonym
- Sodium n-decyl sulfate Synonym
- Pentrone DN Synonym
- Sodium hydrogen sulfate decyl ester Synonym
- Sodium decyl sulfate Synonym
- Avirol 110 Synonym
- Polystep B 25 Synonym
- Emal 3F Synonym
- DSS Synonym
- DSS (surfactant) Synonym
- Sulfotex 110 Synonym
- SDeS Synonym
- Sulfochem NADS Synonym
- Sodium capryl sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.34 g/mol | CAS Common Chemistry |
| 261.339 g/mol | RDKit | |
| 262.34 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)OCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13); | CAS Common Chemistry |
| InChI Key | InChIKey=IFWQJLOEDLBVJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium decyl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 2.5657000000000005 | RDKit |
| 2.5657 | RDKit | |
| Molar Refractivity | 65.86460000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 261.113649464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 261.34 g/mol. Edit any field — others recompute live.
