80-40-0

Basic information

• Product Name: Ethyl p-toluenesulfonate
• Synonyms: 4-methyl-benzenesulfonicaciethylester;Benzenesulfonicacid,4-methyl-,ethylester;Ethyl 4-methylbenzenesulfonate;Ethyl ester of p-Toluenesulfonic acid;Ethyl para-toluenesulfonate;Ethyl p-TS;Ethyl toluene-4-sulfonate;Ethylester kyseliny p-toluensulfonove
• CAS NO: 80-40-0
• Molecular Formula: C₉H₁₂O₃S
• Molecular Weight: 200.25
• EINECS: 201-276-7
• Product Categories: Sulphur Derivatives;Organic Building Blocks;Sulfur Compounds;Tosylates
• Mol File: 80-40-0.mol
• Article Data: 55

Chemical Properties

• Melting Point: 29-33 °C(lit.)
• Boiling Point: 158-162 °C10 mm Hg(lit.)
• Flash Point: 316 °F
• Appearance: Clear colorless to pale brown/Liquid After Melting
• Density: 1.174 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00142mmHg at 25°C
• Refractive Index: n20/D 1.511(lit.)
• Storage Temp.: Store below +30°C.
• Solubility: 1.24g/l
• Water Solubility: Insoluble
• Sensitive: Moisture Sensitive
• Merck: 14,3858
• BRN: 611213
• CAS DataBase Reference: Ethyl p-toluenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl p-toluenesulfonate(80-40-0)
• EPA Substance Registry System: Ethyl p-toluenesulfonate(80-40-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-40-22
• Safety Statements: 26-45-36/37/39
• RIDADR: UN2811
• WGK Germany: 3
• RTECS: XT6825000
• F: 21
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 80-40-0(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 80-40-0 differently. You can refer to the following data:
1. Ethyl p-toluenesulfonate can be used in the manufacture of organic synthesis, and also can be used as intermediate of methylation reagent and sensitive material. It also is flexibilizer of cellulose acetate.
2. For ethylation.
3. Ethyl p-toluenesulfonate was used to develop an extraction method for methyl and ethyl esters of various sulfonic acids in active pharmaceutical ingredients using solid-phase micro extraction coupled to GC/MS in the selected ion monitoring mode. It was used in a study to develop a fast and accurate method for determination of residues of some common alkylating agents employed in drug synthesis by in situ derivatization-headspace-gas chromatography-mass spectrometry.

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 34, p. 2710, 1986 DOI: 10.1248/cpb.34.2710The Journal of Organic Chemistry, 39, p. 3454, 1974 DOI: 10.1021/jo00937a050

Safety Profile

Moderately toxic by subcutaneous and intraperitoneal routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidzing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits hlghly toxic fumes of SOx. See also SULFONATES and ESTERS.

InChI:InChI=1/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

Upstream product

• 74-85-1 ethene 
• 104-15-4 toluene-4-sulfonic acid 
• 91-22-5 quinoline 
• 64-17-5 ethanol 
• 98-59-9 p-toluenesulfonyl chloride 
• 1950-69-2 toluene-p-sulfonyl bromide 
• 824-79-3 sodium 4-methylbenzenesulfinate 
• 818-38-2 Diethyl glutarate 
• 6192-52-5 p-toluenesulfonic acid monohydrate 
• 3289-28-9 ethyl cyclohexanecarboxylate 
• 78-40-0 triethyl phosphate 
• 1470-83-3 lithium tosylate 
• 75-03-6 ethyl iodide 
• 105-54-4 butanoic acid ethyl ester 

Downstream Products

• 32163-58-9 1-Ethyl-2,2,6,6-tetramethylpiperidine 
• 15941-82-9 (3-ethyl-benzothiazol-2-yl)-(1-ethyl-[4]quinolyl)-methinium ; iodide 
• 4846-34-8 1,3,5-tris-(1-ethyl-[4]quinolyl)-[2.2.0] pentamethine diium; diiodide 
• 15185-40-7 bis-(3-ethyl-benzoxazol-2-yl)-methinium ; iodide 
• 68006-75-7 (3-ethyl-benzothiazol-2-yl)-(3-ethyl-benzoxazol-2-yl)-methinium ; iodide 
• 110377-14-5 3-ethyl-2-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzoxazolium; iodide 
• 122341-63-3 3-ethyl-2-[3-(3-ethyl-5-methyl-3H-benzothiazol-2-ylidenemethyl)-5,5-dimethyl-cyclohex-2-enylidenemethyl]-5-methyl-benzothiazolium; iodide 
• 144577-12-8 3-ethyl-2-[3-(3-ethyl-5-methyl-3H-benzothiazol-2-ylidenemethyl)-5-phenyl-cyclohex-2-enylidenemethyl]-5-methyl-benzothiazolium; iodide 
• 3148-90-1 2-ethyl-1,3-bis-(3-ethyl-5-methyl-benzothiazol-2-yl)-trimethinium; iodide 
• 113037-61-9 3-ethyl-2-(4-dimethylamino-styryl)-5-methyl-benzothiazolium; iodide 
• 137414-31-4 1-ethyl-2-ethylsulfanyl-quinolinium; toluene-4-sulfonate 
• 23043-88-1 7-ethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 
• 105837-99-8 3-(1-ethyl-[2]piperidyl)-propionic acid ethyl ester 
• 114720-75-1 3-ethyl-2-methyl-6-phenyl-benzothiazolium; etho-(toluene-4-sulfonate) 

Relevant articles and documents

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Method for the Preparation of Diamine Derivative

The present invention relates to high yield. The present invention relates to a process for preparing high purity ethaboxate p - toluenesulphonate or hydrates thereof. To the present invention, generation of a dielectric toxic substance and a side reaction product can be suppressed, and high yield, high purity of edoxaba p - toluenesulphonate or a hydrate thereof can be advantageously used.

Visible-light-initiated regioselective sulfonylation/cyclization of 1,6-enynes under photocatalyst- And additive-free conditions

Without employing any photocatalyst and additive, an economical, eco-friendly and practical strategy has been developed for the visible-light-initiated regioselective sulfonylation/cyclization of 1,6-enynes in a biomass-derived green solvent 2-methylTHF from easily accessible sulfonyl chlorides under open-air conditions at room temperature. Compared with conventional heating conditions, the use of a 3 W blue light-emitting diode (LED) or sunlight not only reduces energy consumption but also minimizes side reactions. This transformation has excellent regioselectivity, mild reaction conditions, broad substrate scope and ease of scale-up. Moreover, mechanistic studies indicated that a sulfonyl radical pathway was involved in this reaction.