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Molecule
Sodium Cetyl Sulfate
CAS: 1120-01-0 · C16H34NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1120-01-0
- Molecular Formula
- C16H34NaO4S
- Molecular Mass
- 345.50 g/mol
Identifiers
CAS Registry Number
1120-01-0
SMILES
CCCCCCCCCCCCCCCCOS(=O)(=O)O.[Na]
InChI Key
HMWHAHJOIHEFOG-UHFFFAOYSA-N
InChI
InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);
Names and Synonyms
- Sodium Cetyl Sulfate Synonym
- 1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1) Synonym
- Hexadecyl sodium sulfate Synonym
- 1-Hexadecanol, hydrogen sulfate, sodium salt Synonym
- Avitex SF Synonym
- Cetyl sulfate sodium salt Synonym
- SHS Synonym
- Sodium cetyl sulfate Synonym
- Sodium hexadecyl sulfate Synonym
- Sodium n-hexadecyl sulfate Synonym
- Sodium palmityl sulfate Synonym
- Tergitol anionic 7 Synonym
- Conco Sulfate C Synonym
- Avitex C Synonym
- Sodium monohexadecyl sulfate Synonym
- Cetyl sodium sulfate Synonym
- Sipex EC 111 Synonym
- Hexadecyl sulfate sodium salt Synonym
- Nikkol SCS Synonym
- Sodium 1-hexadecanol sulfate Synonym
- Lanette E Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 345.50 g/mol | CAS Common Chemistry |
| 345.501 g/mol | RDKit | |
| 346.502 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)OCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=HMWHAHJOIHEFOG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium cetyl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 4.906300000000003 | RDKit |
| 4.9063 | RDKit | |
| Molar Refractivity | 93.56660000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 345.207549848 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
External Resources
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MW = 345.50 g/mol. Edit any field — others recompute live.
