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Sodium 2-Ethylhexyl Sulfate
CAS: 126-92-1 | C8H18NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
126-92-1
Molecular Formula:
C8H18NaO4S
Molecular Weight:
233.285 g/mol
Names and Synonyms:
Sodium 2-Ethylhexyl Sulfate
TC-EHS
Sulfopon O
Steponol EHS
Sandet OHE
Disponil EHS 47
Kraftex OA
Texapon EHS
Pionin A 20
Stepanol EHS
Sulfotex OA
NSC 4744
Lutensit TC-EHS
Rhodapon OLS
Carsonol SHS
Supralate SP
Rhodapon BOS
Sinolin SO 35
Avirol SA 4106
Newcol 1000SN
Sodium octyl sulfate
Sodium octyl sulphate
Texapon 890
Witcolate D 5-10
Rewopol NEHS 40
Sulfotex CA
Lugalvan TC-EHS
Nissan Sintrex EHR
Sintrex EHR
Niaproof 08
NAS 08
2-Ethylhexyl sulfate sodium salt
Tergitol Anionic 08
2-Ethyl-1-hexanol sodium sulfate
Sole Tege TS 25
Emcol D 5-10
Pentrone ON
Sulfirol 8
Ethasulfate sodium
Tergitol 08
Tergimist
Tergemist
Sodium 2-ethylhexyl sulfate
Sodium ethasulfate
Sodium etasulfate
2-Ethylhexyl sodium sulfate
2-Ethyl-1-hexanol sulfate sodium salt
1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt
Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt
Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)
Identifiers:
SMILES:
CCCCC(CC)COS(=O)(=O)O.[Na]
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);
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 233.29 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)OCC(CC)CCCC None | Legacy Database |
| cas-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); None | Legacy Database |
| cas-inchi-key | InChIKey=SWZKZFBJFXBZPX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 148-149 °C None | Legacy Database |
| cas-name | Sodium 2-ethylhexyl sulfate None | Legacy Database |
| LogP | 1.6414 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 233.285 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 233.082349336 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 56.560600000000036 | RDKit |
