Triethylene glycol di(p-toluenesulfonate) supplier

Name
TRI(ETHYLENE GLYCOL) DI-P-TOLUENESULFONATE
EINECS 628-844-0
CAS No. 19249-03-7
Article Data111
CAS DataBase
Density 1.281 g/cm³
Solubility
Melting Point 78-82 °C(lit.)
Formula C₂₀H₂₆O₈S₂
Boiling Point 608.4 °C at 760 mmHg
Molecular Weight 458.554
Flash Point 321.7 °C
Transport Information
Appearance White powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-, bis(4-methylbenzenesulfonate) (9CI);Triethylene glycol, di-p-toluenesulfonate (6CI,7CI,8CI);1,2-Ethanediylbis(oxy-2,1-ethanediyl) bis(4-methylbenzenesulfonate);1,8-Bis(p-tolylsulfonyloxy)-3,6-dioxaoctane;1,8-Bis(tosyloxy)-3,6-dioxaoctane;2-[2-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]ethyl4-methylbenzenesulfonate;3,6-Dioxaoctane-1,8-diol ditosylate;NSC 244980;Triethylene glycol bis(4-toluenesulfonate);Triethylene glycolbis(p-toluenesulfonate);Triethylene glycol bis(p-tosylate);Triethylene glycoldi-4-toluenesulfonate;Triethylene glycol di-p-tosylate;Triethylene glycolditoluenesulfonate;Triethylene glycol ditosylate;Triethyleneglycolbis(toluenesulfonate);
PSA 121.96000
LogP 4.60900

Triethylene glycol di(p-toluenesulfonate) Specification

The Triethylene glycol di(p-toluenesulfonate), with CAS registry number 19249-03-7, has the systematic name of ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(4-methylbenzenesulfonate). This chemical is a kind of white powder. And the chemical formula of this chemical is C₂₀H₂₆O₈S₂.

Physical properties of Triethylene glycol di(p-toluenesulfonate): (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 121.96 Å²; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 113.1 cm³; (9)Molar Volume: 357.9 cm³; (10)Polarizability: 44.83×10^-24cm³; (11)Surface Tension: 46.6 dyne/cm; (12)Density: 1.281 g/cm³; (13)Flash Point: 321.7 °C; (14)Enthalpy of Vaporization: 87.07 kJ/mol; (15)Boiling Point: 608.4 °C at 760 mmHg; (16)Vapour Pressure: 4.27E-14 mmHg at 25°C.

Preparation: this chemical can be prepared by toluene-4-sulfonyl chloride and 2,2'-ethane-1,2-diyldioxy-bis-ethanol. This reaction will need reagent aq. NaOH. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
The Triethylene glycol di(p-toluenesulfonate) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OCCOCCOCCOS(=O)(=O)c1ccc(cc1)C)c2ccc(cc2)C
(2)InChI: InChI=1/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
(3)InChIKey: KCONMNWPRXAWKK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
(5)Std. InChIKey: KCONMNWPRXAWKK-UHFFFAOYSA-N

Product Name

TRI(ETHYLENE GLYCOL) DI-P-TOLUENESULFONATE

Triethylene glycol di(p-toluenesulfonate) Specification

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