Methyl p-toluenesulfonate

Modify Date: 2026-08-03 11:09:53

Methyl p-toluenesulfonate structure	Common Name	Methyl p-toluenesulfonate
	CAS Number	80-48-8	Molecular Weight	186.228
	Density	1.2±0.1 g/cm3	Boiling Point	291.8±9.0 °C at 760 mmHg
	Molecular Formula	C₈H₁₀O₃S	Melting Point	25-28 °C(lit.)
	MSDS	Chinese USA	Flash Point	130.3±18.7 °C
	Symbol	GHS05, GHS07	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	Methyl p-toluenesulfonate
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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
InChIKey	VUQUOGPMUUJORT-UHFFFAOYSA-N
SMILES	COS(=O)(=O)c1ccc(C)cc1
Storage condition	2-8°C
Water Solubility	Insoluble

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Methyl p-toluenesulfonate MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 9
CAS#:67-56-1 Methanol CAS#:104-15-4 p-Toluenesulfon... CAS#:129624-79-9 (S)-5-methoxyme... CAS#:98-59-9 Tosyl chloride
CAS#:7182-86-7 Tetrabutylammon... CAS#:74-88-4 methyl iodide CAS#:77-78-1 Dimethyl sulfate CAS#:1825-61-2 Trimethyl Metho...
CAS#:79069-32-2 PhI(+)CCPhTsO(-)
DownStream 9
CAS#:109249-29-8 5-ethyl-1-methy... CAS#:10506-59-9 methoxysulfonyl... CAS#:4124-41-8 4-Methylbenzene... CAS#:76443-13-5 (O-methyl disul...
CAS#:76443-14-6 mixed anhydride... CAS#:77-78-1 Dimethyl sulfate CAS#:74-89-5 methylamine CAS#:606-45-1 Methyl 2-methox...
CAS#:57113-89-0 Methyl 2-amino-...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table lists relevant public references with title, journal and publication metadata for this compound.

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)

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Inhibition of human PHPT1 expressed in Escherichia coli BL21 (DE3) using pNPP as subs...
Source: ChEMBL
Target: 14 kDa phosphohistidine phosphatase
External Id: CHEMBL5107663

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Total 129, Current Page 1 of 13

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the English name of Methyl p-toluenesulfonate?

A: The English name of Methyl p-toluenesulfonate is Methyl p-toluenesulfonate.

Q: What is the molecular formula of Methyl p-toluenesulfonate?

A: Molecular formula of Methyl p-toluenesulfonate is C8H10O3S.

Q: What is the LogP of Methyl p-toluenesulfonate?

A: LogP of Methyl p-toluenesulfonate is 1.30.

Q: How is the water solubility of Methyl p-toluenesulfonate?

A: Water solubility of Methyl p-toluenesulfonate: Insoluble.

Q: What is the CAS number of Methyl p-toluenesulfonate?

A: CAS number of Methyl p-toluenesulfonate is 80-48-8.

Q: What is the InChIKey of Methyl p-toluenesulfonate?

A: InChIKey of Methyl p-toluenesulfonate is VUQUOGPMUUJORT-UHFFFAOYSA-N.

Q: What are the storage conditions for Methyl p-toluenesulfonate?

A: Storage conditions for Methyl p-toluenesulfonate: 2-8°C.

Q: What is the SMILES notation of Methyl p-toluenesulfonate?

A: SMILES notation of Methyl p-toluenesulfonate is COS(=O)(=O)c1ccc(C)cc1.

Q: What are the upstream materials of Methyl p-toluenesulfonate?

A: Related upstream materials(CAS) of Methyl p-toluenesulfonate: 67-56-1;104-15-4;129624-79-9;98-59-9;7182-86-7;74-88-4;77-78-1;1825-61-2;79069-32-2.

Q: What English synonyms does Methyl p-toluenesulfonate have?

A: English synonyms of Methyl p-toluenesulfonate: 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.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

Zhongshan Xingrui Chemical Co. , Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Methyl p-toluenesulfonate
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Methyl p-toluenesulfonate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: P-Toluene sulfonic acid Methyl Ester, PTSM, Methyl p-toluenesulfonate, P-Toluenesulfonic acid Methyl
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Methyl p-toluenesulfonate
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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Methyl p-toluenesulfonate

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Articles3

Methyl p-toluenesulfonateBioassay

Synonyms

Methyl p-toluenesulfonate | FAQ

Methyl p-toluenesulfonatefactory

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.