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Methyl p-toluenesulfonate

Names

[ CAS No. ]:
80-48-8

[ Name ]:
Methyl p-toluenesulfonate

[Synonym ]:
EINECS 201-283-5
methyl 4-methyl-1-benzenesulfonate
methyl p-toluene sulfonate
MPTS
PTS1
Methyl p-toluenesulf
methyltoluene-4-sulfonate
MPTS,TRISODIUM SALT
toluene-4-sulfonic acid-methyl ester
MFCD00008417
methyl para-toluenesulfonate
methyl 4-toluenesulfonate
METHYL P-TOSYLATE
METHYL TOSYLATE
Methanol tosylate
p-Tolylmethylsulfonate

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
291.8±9.0 °C at 760 mmHg

[ Melting Point ]:
25-28 °C(lit.)

[ Molecular Formula ]:
C8H10O3S

[ Molecular Weight ]:
186.228

[ Flash Point ]:
130.3±18.7 °C

[ Exact Mass ]:
186.035065

[ PSA ]:
51.75000

[ LogP ]:
1.30

[ Vapour density ]:
6.45 (vs air)

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.517

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
Insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7000000
CHEMICAL NAME :
p-Toluenesulfonic acid, methyl ester
CAS REGISTRY NUMBER :
80-48-8
BEILSTEIN REFERENCE NO. :
0609209
LAST UPDATED :
199707
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H10-O3-S
MOLECULAR WEIGHT :
186.24
WISWESSER LINE NOTATION :
1OSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
341 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 mg/kg/2Y
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg/54W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
Sex chromosome loss and nondisjunction

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
11 mmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 198,73,1988

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H314-H317

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38;R40;R43

[ Safety Phrases ]:
S26-S36/37/39-S45-S24

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
XT7000000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2904909090

Synthetic Route

Precursor & DownStream

Customs

[ HS Code ]: 2904909090

[ Summary ]:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Rapid and simultaneous determination of sulfonate ester genotoxic impurities in drug substance by liquid chromatography coupled to tandem mass spectrometry: comparison of different ionization modes.

J. Chromatogr. A. 1355 , 73-9, (2014)

Two ionization techniques for liquid chromatography-mass spectrometry (LC-MS) determination of sulfonate ester potentially genotoxic impurities (PGIs) were evaluated. Twelve PGIs including methyl, eth...

Secondary deuterium isotope effects.. beta.-Kinetic effects in Sn2 reactions of N, N-dimethylaniline and dimethylphenylphosphine with methyl p-toluenesulfonate, and comparison with observed and calculated vibrational frequencies. Kaplan ED and Thornton ER.

J. Am. Chem. Soc. 89(25) , 6644-51, (1967)

The formation of tin-nitrogen bonds. V. The selective 1-substitution reaction of tetrazoles by the reaction of 5-substituted 2-(tri-n-butylstannyl) tetrazoles with methyl iodide, methyl p-toluenesulfonate, dimethyl sulfate, and ethyl bromoacetate. Isida T, et al.

Bull. Chem. Soc. Jpn. 46 , 2176-80, (1973)


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