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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 Mass:
233.29 g/mol
Names and Synonyms:
Sodium 2-Ethylhexyl Sulfate
Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)
Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt
1-Hexanol, 2-ethyl-, hydrogen sulfate, sodium salt
2-Ethyl-1-hexanol sulfate sodium salt
2-Ethylhexyl sodium sulfate
Sodium etasulfate
Sodium ethasulfate
Sodium 2-ethylhexyl sulfate
Tergemist
Tergimist
Tergitol 08
Ethasulfate sodium
Sulfirol 8
Pentrone ON
Emcol D 5-10
Sole Tege TS 25
2-Ethyl-1-hexanol sodium sulfate
Tergitol Anionic 08
2-Ethylhexyl sulfate sodium salt
NAS 08
Niaproof 08
Sintrex EHR
Nissan Sintrex EHR
Lugalvan TC-EHS
Sulfotex CA
Rewopol NEHS 40
Witcolate D 5-10
Texapon 890
Sodium octyl sulphate
Sodium octyl sulfate
Newcol 1000SN
Avirol SA 4106
Sinolin SO 35
Rhodapon BOS
Supralate SP
Carsonol SHS
Rhodapon OLS
Lutensit TC-EHS
NSC 4744
Sulfotex OA
Stepanol EHS
Pionin A 20
Texapon EHS
Kraftex OA
Disponil EHS 47
Sandet OHE
Steponol EHS
Sulfopon O
TC-EHS
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);
Key Properties
Melting Point
148-149 °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 | 233.29 g/mol | CAS Common Chemistry |
| 233.285 g/mol | RDKit | |
| 233.082349336 g/mol | RDKit | |
| 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 |
| LogP | 1.6414 | RDKit |
| Molar Refractivity | 56.560600000000036 | RDKit |
