Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate)

HCID 86977

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Basic information

CAS: 17178-10-8
Standard SMILES: COCCOS(=O)(=O)c1ccc(C)cc1
InChIKey: TZXJJSAQSRHKCZ-UHFFFAOYSA-N
Molecular formula: C10H14O4S
Average molar mass: 230.28 g/mol

Overview

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Names & identifiers

Preferred name: Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate)
IUPAC: 2-methoxyethyl 4-methylbenzenesulfonate
English name: 2-Methoxyethyl p-toluenesulfonate
Molecular formula: C10H14O4S
Molecular weight: 230.28

Names & synonyms

17178-10-8Ethanol, 2-methoxy-, 4-methylbenzenesulfonateEthanol, 2-methoxy-, 1-(4-methylbenzenesulfonate)DTXSID00884963RefChem:138330DTXCID3010243792-methoxyethyl 4-methylbenzenesulfonate58320-73-32-Methoxyethyl p-ToluenesulfonateMFCD00025910p-Toluenesulfonic Acid 2-Methoxyethyl Ester4-Methylbenzenesulfonic acid 2-methoxyethyl ester

Show more names

2-methoxyethyl-p-toluensulfonate.beta.-Methoxy-4-ethyl toluene sulfonate2-methoxy-ethano 4-methylbenzenesulfonate2-Methoxyethyl 4-methylbenzenesulfonate, 98+%(8Z)-8-hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene2-METHOXYETHYL-P-TOLUENESULFONATE (PTS-MC) 4-TOLUENESULFONIC ACID 2-METHOXYETHYL ESTER

2-methoxyethyl 4-methylbenzene-1-sulfonateC10H14O4S2-methoxyethyl tosylatem-PEG11-OTsmPEG-TosylatemPEG-TosmPEG-OTs2-methoxyethyl4-methylbenzenesulfonate

Database identifiers

CAS: 17178-10-8、58320-73-3
PubChem CID: 86977
DTXSID: DTXSID00884963
EC Number: 688-184-4
Nikkaji: J141.675H

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 61 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 10 °C · 10 °C
Boiling point: 141 °C · 141 °C / 0.2mmHg
Density: 1.21 · 1.21
refractive index: 1.51 · 1.5100-1.5120
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
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
InChIKey: TZXJJSAQSRHKCZ-UHFFFAOYSA-N
SMILES: C(OS(C1=CC=C(C)C=C1)(=O)=O)COC
EPA Substance Registry System: 2 · Ethanol, 2-methoxy-, 4-methylbenzenesulfonate (17178-10-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
TSCA: TSCA listed
HS Code: 2909500090 · 2909500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.