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2-Methoxyethyl P-Toluenesulfonate
CAS: 17178-10-8 | C10H14O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17178-10-8
Molecular Formula:
C10H14O4S
Molecular Mass:
230.29 g/mol
Names and Synonyms:
2-Methoxyethyl P-Toluenesulfonate
Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate)
Ethanol, 2-methoxy-, p-toluenesulfonate
Ethanol, 2-methoxy-, 4-methylbenzenesulfonate
p-Toluenesulfonic acid β-methoxyethyl ester
2-Methoxyethyl p-toluenesulfonate
β-Methoxyethyl p-toluenesulfonate
2-Methoxyethyl tosylate
2-Methoxyethanol tosylate
3-Oxabutyl tosylate
p-Toluenesulfonic acid 2-methoxyethyl ester
2-Methoxyethyl toluenesulfonate
Ethylene glycol methyl ether tosylate
2-Methoxyethyl p-tolylsulfonyloxy ester
2-Methoxyethyl 4-methylbenzenesulfonate
4-Toluenesulfonic acid 2-methoxyethyl ester
Identifiers:
SMILES:
COCCOS(=O)(=O)c1ccc(C)cc1
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
Key Properties
Boiling Point
110-117 °C @ Press: 0.075 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.29 g/mol | CAS Common Chemistry |
| 230.285 g/mol | RDKit | |
| 230.061279928 g/mol | RDKit | |
| Boiling Point | 110-117 °C @ Press: 0.075 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 56.19280000000004 | RDKit |
