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
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
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)