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Methyl p-toluenesulfonate

Methyl p-toluenesulfonate structure

CAS No:
80-48-8
Formula:
C8H10O3S
Chemical Name:
Methyl p-toluenesulfonate
Synonyms:
Benzenesulfonic acid,4-methyl-,methyl ester;p-Toluenesulfonic acid,methyl ester;Methyl p-toluenesulfonate;Methyl tosylate;Methyl p-tosylate;p-Methylbenzenesulfonic acid methyl ester;Methyl toluene-4-sulfonate;Methyl 4-methylbenzenesulfonate;Methyl p-methylbenzenesulfonate;Methyl toluenesulfonate;Toluene-4-sulfonic acid methyl ester;NSC 406335
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

white to slightly yellow low melting solid

Methyl p-toluenesulfonate Basic Attributes

Molecular Weight：

186.23

Exact Mass：

186.23

BRN：

609209

EC Number：

201-283-5

UNII：

4SU69KI68L

NSC Number：

406335

DSSTox ID：

DTXSID4052550

Color/Form：

MONOCLINIC LEAFLETS OR PRISMS FROM ETHER-PETROLEUM ETHER|LIGHT BROWN CRYSTALS|WHITE DAMP CRYSTALS

HScode：

29051900

Characteristics

PSA：

51.8

XLogP3：

2.2

Appearance：

White to yellow Liquid or Low Melting Solid

Density：

1.2±0.1 g/cm3

Melting Point：

28-29 °C

Boiling Point：

292 °C @ Press: 760 Torr

Flash Point：

>230 °F

Refractive Index：

1.517

Water Solubility：

H2O: Insoluble

Storage Conditions：

2-8°C

Vapor Pressure：

1 mm Hg ( 20 °C)

Vapor Density：

6.45 (vs air)

Toxicity：

LD50 orally in Rabbit: 341 mg/kg

Experimental Properties：

LOW-MELTING SOLID OR LIQUID|DECOMP @ 262 °C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

22-34-43-40-36/37/38

safety instructions：

26-36/37/39-45-24

RTECS Number：

XT7000000

Marks：

C,Xn

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H314-H317

Disposal Methods：

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 217 companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Not Classified

Personal Protective Equipment：

CONTAMINATED AREAS SHOULD BE ENTERED ONLY BY TRAINED PERSONNEL WITH IMPERVIOUS CLOTHING & AIR-SUPPLIED RESPIRATORS.

Fire Fighting Procedures：

WATER OR FOAM MAY CAUSE FROTHING.

Cleanup Methods：

...DECONTAMINATION OF FLOORS & EQUIPMENT MAY BE EFFECTED BY FLUSHING WITH DILUTE ALKALI OR AMMONIA.

Preventive Measures：

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Irritations：

HIGHLY TOXIC BY INHALATION; STRONG IRRITANT TO SKIN & EYES.

NFPA Hazard Classification：

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Drug Information

Antidote：

FIRST AID TREATMENT: CONTACT...WITH SKIN OR EYES IS INDICATION FOR RAPID AND PROLONGED IRRIGATION OF AREA WITH LARGE VOL OF WATER.

Human Toxicity Excerpts：

...CONTACT WITH SOLN OR SOLID MAY GIVE RISE TO NO SYMPTOMS FOR SEVERAL HR. ... /THEN/ THERE MAY BE...VESICATION AT SITE OF CONTACT, FREQUENTLY WITH LITTLE... PAIN. VERY LARGE BULLAE MAY BE FORMED... GENERALIZED TOXIC SYMPTOMS DO NOT SEEM TO OCCUR AND...BURNS HEAL USUALLY WITH SOME PIGMENTATION...|...THERE HAVE BEEN FEW INSTANCES OF PULMONARY IRRITATION. ...ONE INSTANCE WAS NOTED OF URTICARIAL REACTION FROM HEATED VAPOR; SKIN SENSITIZATION ALSO OCCURS.|...STRONG IRRITANT TO...EYES.|HIGHLY TOXIC BY INHALATION; STRONG IRRITANT TO SKIN & EYES.

MeSH Entry Terms：

methyl 4-toluene sulfonate

Methyl p-toluenesulfonate Use and Manufacturing

Methods of Manufacturing

By the reaction of p-toluenesulfonyl chloride and methanol. Mix p-toluenesulfonyl chloride and methanol, slowly add 25% sodium hydroxide solution, the temperature is controlled below 25 ℃, until the pH is 9, stop adding alkali, continue stirring for 2h, and leave overnight. The lower layer reactant is taken, the upper layer is extracted with benzene, and the extraction liquid is recovered and combined with the lower layer, washed with water and 5% potassium carbonate solution in sequence, dried and then distilled under reduced pressure to obtain the finished product.

Uses

It can be used in the manufacture of dyes and organic synthesis, and also is the raw materials of methylation.

Production

< 25,000 lb|(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US

Formulations：

GRADE: 97% MIN

Manufacturing Info：

Benzenesulfonic acid, 4-methyl-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:186.23
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:186.03506535
Monoisotopic Mass:186.03506535
Topological Polar Surface Area:51.8
Heavy Atom Count:12
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Dimethyl sulfate

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Guide of Methyl p-toluenesulfonate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Downstream Products
Recommended Suppliers
Latest News
Learn More Other Chemicals

Methyl p-toluenesulfonate

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