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Molecule
2-Methoxyethyl P-Toluenesulfonate
CAS: 17178-10-8 · C10H14O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17178-10-8
- Molecular Formula
- C10H14O4S
- Molecular Mass
- 230.29 g/mol
Identifiers
CAS Registry Number
17178-10-8
SMILES
COCCOS(=O)(=O)c1ccc(C)cc1
InChI Key
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3
Names and Synonyms
- 2-Methoxyethyl P-Toluenesulfonate Synonym
- Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate) Synonym
- Ethanol, 2-methoxy-, p-toluenesulfonate Synonym
- Ethanol, 2-methoxy-, 4-methylbenzenesulfonate Synonym
- p-Toluenesulfonic acid β-methoxyethyl ester Synonym
- 2-Methoxyethyl p-toluenesulfonate Synonym
- β-Methoxyethyl p-toluenesulfonate Synonym
- 2-Methoxyethyl tosylate Synonym
- 2-Methoxyethanol tosylate Synonym
- 3-Oxabutyl tosylate Synonym
- p-Toluenesulfonic acid 2-methoxyethyl ester Synonym
- 2-Methoxyethyl toluenesulfonate Synonym
- Ethylene glycol methyl ether tosylate Synonym
- 2-Methoxyethyl p-tolylsulfonyloxy ester Synonym
- 2-Methoxyethyl 4-methylbenzenesulfonate Synonym
- 4-Toluenesulfonic acid 2-methoxyethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.29 g/mol | CAS Common Chemistry |
| 230.285 g/mol | RDKit | |
| 230.278 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(OCCOC)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TZXJJSAQSRHKCZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methoxyethyl p-toluenesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 1.34672 | RDKit |
| 1.3467 | RDKit | |
| Molar Refractivity | 56.19280000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 230.061279928 g/mol | RDKit |
| Boiling Point | 110-117 °C @ 0.075 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 230.29 g/mol. Edit any field — others recompute live.
