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Ethyl P-Toluenesulfonate(PTSE)(Cas no:80-40-0) Ethyl p-toluenesulfonate 80-40-0 buy Ethyl p-toluenesulfonate 80-40-0 supplier
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1. Introduction of Ethyl P-toluenesulfonate
Ethyl P-toluenesulfonate (CAS NO.80-40-0) is one kind of colorless tolight yellow lighid. The ethyl 4-methylbenzenesulfonate is the chemical name of this product. Besides, this chemical belongs to the product categories which are Sulphur Derivatives; Organic Building Blocks; Sulfur Compounds; Tosylates.
Our Ethyl P-toluenesulfonate is min 98%. The detailed information of this chemical is as follows:
Ethyl P-toluenesulfonate Name of product : Ethyl P-toluenesulfonate Molecular formula : C9H12O3S Melting point : min 32°C Water : max 0.5% PTSA : max 0.2% PTSC : max 0.3% Ash : max 0.05%.
2. Basic information of Ethyl P-toluenesulfonate
1) Properties:
(1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.48; (6)ACD/BCF (pH 7.4): 14.48; (7)ACD/KOC (pH 5.5): 235.72; (8)ACD/KOC (pH 7.4): 235.72; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 51.19 cm3; (15)Molar Volume: 170.3 cm3; (16)Polarizability: 20.29×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 157.8 °C; (20)Enthalpy of Vaporization: 52.49 kJ/mol; (21)Boiling Point: 306.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00142 mmHg at 25°C.
2) Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 34.5 | deg C | EXP | |
log P (octanol-water) | 1.81 | (none) | EXP | |
Water Solubility | 1240 | mg/L | 25 | EST |
Vapor Pressure | 2.41E-04 | mm Hg | 25 | EST |
Henry's Law Constant | 1.18E-06 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 2.05E-12 | cm3/molecule-sec | 25 | EST |
3) Descriptors of Structure
InChI: InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey: VRZVPALEJCLXPR-UHFFFAOYSA-N
Canonical SMILES: CCOS(=O)(=O)C1=CC=C(C=C1)C
Smiles: c1(S(OCC)(=O)=O)ccc(C)cc1
4) Production of Ethyl P-toluenesulfonate
This chemical can be obtained from the reaction of Tosyl chloride and Etanol to esterification.
5) Uses of Ethyl P-toluenesulfonate
This chemical is used for organic synthesis as ethylation agent. Besides, it can be used to produce benzyl ammonium bromide in medicine industry. What's more, it is also used as sensitive material intermediates and is acetate fiber of toughening agent.
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