Name | Methyl p-toluenesulfonate |
Synonyms | PTSM Methyl p-toluenesulfonate p-toluenesulfonatedemethyle methyl para-toluenesulfonate Methyl para-toluenesulfonate Methyl 4-methylbenzenesulfonate methyl 4-methylbenzenesulfonate p-toluolsulfonsaeuremethylester p-Toluolsulfonsaeure methyl ester 4-Toluenesulfonic acid methyl ester P-Toluene sulfonic acid Methyl Ester 4-methyl-benzenesulfonicacimethylester Benzenesulfonicacid,4-methyl-,methylester Methyl ester of 4-methylbenzenesulfonic acid Methyl p-tosylate~p-Toluenesulphonic acid methyl ester Methyl p-tosylate 4-Methylbenzenesulfonic acid methyl ester |
CAS | 80-48-8 |
EINECS | 201-283-5 |
InChI | InChI=1/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3 |
Molecular Formula | C8H10O3S |
Molar Mass | 186.23 |
Density | 1.234g/mLat 25°C(lit.) |
Melting Point | 25-28°C(lit.) |
Boling Point | 144-145°C5mm Hg(lit.) |
Flash Point | >230°F |
Water Solubility | Insoluble |
Solubility | Chloroform (Slightly), Methanol (Slightly) |
Vapor Presure | 1 mm Hg ( 20 °C) |
Vapor Density | 6.45 (vs air) |
Appearance | White crystal |
Color | White to yellow |
BRN | 609209 |
Storage Condition | 2-8°C |
Sensitive | Moisture Sensitive |
Refractive Index | n20/D 1.5172(lit.) |
MDL | MFCD00008417 |
Physical and Chemical Properties | White crystals. Melting point 28-29 ℃, boiling point 292 ℃,146-147 ℃(1.2kPa), relative density of 1.231(20/4 ℃). Soluble in ethanol, ether, benzene, insoluble in water. Hygroscopic. |
Use | For the manufacture of dyes and Organic synthesis |
Risk Codes | R22 - Harmful if swallowed R34 - Causes burns R43 - May cause sensitization by skin contact R40 - Limited evidence of a carcinogenic effect R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24 - Avoid contact with skin. |
UN IDs | UN 3261 8/PG 2 |
WGK Germany | 3 |
RTECS | XT7000000 |
FLUKA BRAND F CODES | 21 |
TSCA | Yes |
HS Code | 29051900 |
Hazard Class | 8 |
Packing Group | III |
Toxicity | LD50 orally in Rabbit: 341 mg/kg |
LogP | 1.88 at 25℃ |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Introduction | methyl p-toluenesulfonate is white crystalline, soluble in ethanol, ether, benzene, insoluble in water, with hygroscopic. Irritating. It can be used as a selective methylation reagent for organic synthesis. |
Application | methyl 4-toluenesulfonate, also known as methyl p-toluenesulfonate (Methylp-toluenesulfonate), is an important organic chemical intermediate, mainly used in the manufacture of dyes and organic synthesis, used for the preparation of methylated raw materials. Methyl 4-toluenesulfonate can also be used as a selective methylation reagent for organic synthesis, for the manufacture of dyes and organic synthesis, as a raw material for the preparation of methylation, a selective methylation reagent for organic synthesis and a catalyst. |
Toxicology | Acute toxicity rat LD50:341mg/kg; Rat subcutaneous LD50:250mg/kg; Neurotoxicity rabbit skin test: 2mg/24h; Rabbit eye test: 500mg/24h; Chronic toxicity/carcinogenicity rat caliber TDLO:1400 mg/kg/2Y; Rat subcutaneous TD: 50 mg/kg rat subcutaneous TD:800 mg/kg/54w-1 teratogenicity Drosophila: 4mmol/kg; Drosophila melanogaster: 11mmol/kg |
Use | is used as a selective methylation reagent in organic synthesis. used in the manufacture of dyes and organic synthesis used as a raw material for the preparation of methylation A selective methylation reagent for organic synthesis. Catalyst This product is mainly used in medicine, organic synthesis, imaging tape and other industries. |
production method | results from the reaction of p-Toluenesulfonyl chloride with methanol. P-Toluenesulfonyl chloride and methanol were mixed, and 25% sodium hydroxide solution was slowly added. The temperature was controlled at 25 ° C. Or lower, and when the pH was 9, the addition of alkali was stopped, stirring was continued for 2 hours, and the mixture was left overnight. The lower reactant was taken, the upper layer was extracted with benzene, the extract was recovered and combined with the lower layer, washed with water and 5% potassium carbonate solution in turn, dried and distilled under reduced pressure to obtain a finished product. |
spontaneous combustion temperature | 896 ° F. |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |