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Molecule
Sodium 2-Ethylhexyl Sulfate
CAS: 126-92-1 · C8H18NaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 126-92-1
- Molecular Formula
- C8H18NaO4S
- Molecular Mass
- 233.29 g/mol
Identifiers
CAS Registry Number
126-92-1
SMILES
CCCCC(CC)COS(=O)(=O)O.[Na]
InChI Key
SWZKZFBJFXBZPX-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O4S.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);
Names and Synonyms
- Sodium 2-Ethylhexyl Sulfate Common Name
- Sulfotex OA Synonym
- Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1) Synonym
- Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt Synonym
- 1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt Synonym
- 2-Ethyl-1-hexanol sulfate sodium salt Synonym
- 2-Ethylhexyl sodium sulfate Synonym
- Sodium etasulfate Synonym
- Sodium ethasulfate Synonym
- Sodium 2-ethylhexyl sulfate Synonym
- Tergemist Synonym
- Tergimist Synonym
- Tergitol 08 Synonym
- Ethasulfate sodium Synonym
- Sulfirol 8 Synonym
- Pentrone ON Synonym
- Emcol D 5-10 Synonym
- Sole Tege TS 25 Synonym
- 2-Ethyl-1-hexanol sodium sulfate Synonym
- Tergitol Anionic 08 Synonym
- 2-Ethylhexyl sulfate sodium salt Synonym
- NAS 08 Synonym
- Niaproof 08 Synonym
- Sintrex EHR Synonym
- Nissan Sintrex EHR Synonym
- Lugalvan TC-EHS Synonym
- Sulfotex CA Synonym
- Rewopol NEHS 40 Synonym
- Witcolate D 5-10 Synonym
- Texapon 890 Synonym
- Sodium octyl sulphate Synonym
- Sodium octyl sulfate Synonym
- Newcol 1000SN Synonym
- Avirol SA 4106 Synonym
- Sinolin SO 35 Synonym
- Rhodapon BOS Synonym
- Supralate SP Synonym
- Carsonol SHS Synonym
- Rhodapon OLS Synonym
- Lutensit TC-EHS Synonym
- NSC 4744 Synonym
- Stepanol EHS Synonym
- Pionin A 20 Synonym
- Texapon EHS Synonym
- Kraftex OA Synonym
- Disponil EHS 47 Synonym
- Sandet OHE Synonym
- Steponol EHS Synonym
- Sulfopon O Synonym
- TC-EHS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.29 g/mol | CAS Common Chemistry |
| 233.285 g/mol | RDKit | |
| 234.286 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O4S.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11); | CAS Common Chemistry |
| InChI Key | InChIKey=SWZKZFBJFXBZPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148-149 °C | CAS Common Chemistry |
| Name | Sodium 2-ethylhexyl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 1.6414 | RDKit |
| Molar Refractivity | 56.560600000000036 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 233.082349336 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| 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.
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MW = 233.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18NaO4S.
