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Sodium Decyl Sulfate
CAS: 142-87-0 | C10H22NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-87-0
Molecular Formula:
C10H22NaO4S
Molecular Mass:
261.34 g/mol
Names and Synonyms:
Sodium Decyl Sulfate
Sulfuric acid, monodecyl ester, sodium salt (1:1)
Decyl sodium sulfate
Sulfuric acid, monodecyl ester, sodium salt
Compound 132D
Decyl sulfate sodium salt
Sodium n-decyl sulfate
Pentrone DN
Sodium hydrogen sulfate decyl ester
Sodium decyl sulfate
Avirol 110
Polystep B 25
Emal 3F
DSS
DSS (surfactant)
Sulfotex 110
SDeS
Sulfochem NADS
Sodium capryl sulfate
Identifiers:
SMILES:
CCCCCCCCCCOS(=O)(=O)O.[Na]
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);
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 | 261.34 g/mol | CAS Common Chemistry |
| 261.339 g/mol | RDKit | |
| 261.113649464 g/mol | RDKit | |
| 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 |
| LogP | 2.5657000000000005 | RDKit |
| Molar Refractivity | 65.86460000000005 | RDKit |
