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Ethyl p-toluenesulfonate

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CAS:80-40-0
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Ethyl p-toluenesulfonate Basic information
Product Name:Ethyl p-toluenesulfonate
Synonyms:4-methyl-benzenesulfonicaciethylester;Benzenesulfonicacid,4-methyl-,ethylester;Ethyl ester of p-Toluenesulfonic acid;Ethyl p-TS;Ethyl toluene-4-sulfonate;Ethylester kyseliny p-toluensulfonove;ethylesterkyselinyp-toluensulfonove;ethylpts
CAS:80-40-0
MF:C9H12O3S
MW:200.25
EINECS:201-276-7
Product Categories:Sulphur Derivatives;Organic Building Blocks;Sulfur Compounds;Tosylates;bc0001
Mol File:80-40-0.mol
Ethyl p-toluenesulfonate Structure
Ethyl p-toluenesulfonate Chemical Properties
Melting point 29-33 °C(lit.)
Boiling point 158-162 °C10 mm Hg(lit.)
density 1.174 g/mL at 25 °C(lit.)
vapor pressure 0.6 hPa (14 °C)
refractive index n20/D 1.511(lit.)
Fp 316 °F
storage temp. 2-8°C
solubility 1.24g/l
form Liquid After Melting
color Clear colorless to pale brown
Water Solubility Insoluble
Sensitive Moisture Sensitive
Merck 14,3858
BRN 611213
InChI1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyVRZVPALEJCLXPR-UHFFFAOYSA-N
SMILESCCOS(=O)(=O)c1ccc(C)cc1
CAS DataBase Reference80-40-0(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenesulfonic acid, 4-methyl-, ethyl ester(80-40-0)
EPA Substance Registry SystemBenzenesulfonic acid, 4-methyl-, ethyl ester (80-40-0)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-40-22
Safety Statements 26-45-36/37/39
RIDADR UN2811
WGK Germany 3
RTECS XT6825000
F 21
Autoignition Temperature500 °C
TSCA TSCA listed
HazardClass 6.1
PackingGroup III
HS Code 29041000
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data80-40-0(Hazardous Substances Data)
MSDS Information
ProviderLanguage
4-Methylbenzenesulfonic acid ethyl ester English
SigmaAldrich English
ACROS English
ALFA English
Ethyl p-toluenesulfonate Usage And Synthesis
Chemical PropertiesClear colorless to brownish liquid after melting
UsesEthyl 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.
UsesFor ethylation.
UsesEthyl 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.34.2710
The Journal of Organic Chemistry, 39, p. 3454, 1974 DOI: 10.1021/jo00937a050
reaction suitabilityreagent type: reductant
Safety ProfileModerately 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.
Ethyl p-toluenesulfonate Preparation Products And Raw materials
Raw materialsTosyl chloride
Preparation Productsethyl salicylate-->Ethylthiocyanate-->3-Fluorophenetole-->5-CHLORO-3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE-->N-ETHYL-3-ETHYL PIPERIDINECARBOXYLATE
Tag:Ethyl p-toluenesulfonate(80-40-0) Related Product Information
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