Ethyl 4-methylbenzenesulfonate

Modify Date: 2026-06-30 15:26:39

Ethyl 4-methylbenzenesulfonate structure	Common Name	Ethyl 4-methylbenzenesulfonate
	CAS Number	80-40-0	Molecular Weight	200.25
	Density	1.2±0.1 g/cm3	Boiling Point	306.2±11.0 °C at 760 mmHg
	Molecular Formula	C₉H₁₂O₃S	Melting Point	29-33 °C(lit.)
	MSDS	Chinese USA	Flash Point	157.8±0.0 °C

Use of Ethyl 4-methylbenzenesulfonate

Ethyl 4-methylbenzenesulfonate (Ethyl p-toluenesulfonate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

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

Name	Ethyl 4-Methylbenzenesulfonate
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	Ethyl 4-methylbenzenesulfonate (Ethyl p-toluenesulfonate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog	Research Areas >> Others Signaling Pathways >> Others >> Others

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	306.2±11.0 °C at 760 mmHg
Melting Point	29-33 °C(lit.)
Molecular Formula	C₉H₁₂O₃S
Molecular Weight	200.25
Flash Point	157.8±0.0 °C
Exact Mass	200.050720
PSA	51.75000
LogP	1.83
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.513
InChIKey	VRZVPALEJCLXPR-UHFFFAOYSA-N
SMILES	CCOS(=O)(=O)c1ccc(C)cc1
Water Solubility	Insoluble

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

Ethyl 4-methylbenzenesulfonate MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT6825000

CHEMICAL NAME :: p-Toluenesulfonic acid, ethyl ester

CAS REGISTRY NUMBER :: 80-40-0

BEILSTEIN REFERENCE NO. :: 0611213

LAST UPDATED :: 199710

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C9-H12-O3-S

MOLECULAR WEIGHT :: 200.27

WISWESSER LINE NOTATION :: 2OSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/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 :: 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 :: 3250 mg/kg/65W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TYPE OF TEST :: Sex chromosome loss and nondisjunction

MUTATION DATA

TYPE OF TEST :: Morphological transformation

TEST SYSTEM :: Rodent - hamster Embryo

DOSE/DURATION :: 500 ug/L

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 1,323,1980

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

Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36/37/38;R40
Safety Phrases	S26-S45-S36/37/39
RIDADR	UN2811
WGK Germany	3
RTECS	XT6825000
Packaging Group	III
Hazard Class	6.1
HS Code	29041000

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#:25566-59-0 N-methyl-N-(2-p... CAS#:64-17-5 Ethanol CAS#:104-15-4 p-Toluenesulfon... CAS#:98-59-9 Tosyl chloride
CAS#:68-34-8 P-TOLUENESULFON... CAS#:109-63-7 Boron trifluori... CAS#:1825-62-3 Ethoxy(trimethy... CAS#:75717-32-7 5-methyl-4-(phe...
CAS#:4819-83-4 2H-Pyran, 2-eth...
DownStream 10
CAS#:5331-73-7 Ethyl 3-ethoxy-... CAS#:57592-45-7 ETHYL 3-ETHOXYB... CAS#:1619-57-4 ethyl 2,2-dieth... CAS#:607-97-6 Ethyl 2-ethyl-3...
CAS#:3289-28-9 Ethyl hexahydro... CAS#:104-15-4 p-Toluenesulfon... CAS#:93-89-0 Ethyl benzoate CAS#:93-55-0 Phenyl ethyl ketone
CAS#:14933-76-7 3-ethyl-2-methy... CAS#:94-68-8 2-Ethylaminotoluene

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

HS Code	29041000

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

Characterization in humans of 18F-MNI-444, a PET radiotracer for brain adenosine 2A receptors.

J. Nucl. Med. 56(4) , 586-91, (2015)

PET with selective adenosine 2A receptor (A2A) radiotracers can be used to study a variety of neurodegenerative and neuropsychiatric disorders in vivo and to support drug-discovery studies targeting A...

A generic approach for the determination of residues of alkylating agents in active pharmaceutical ingredients by in situ derivatization-headspace-gas chromatography-mass spectrometry.

J. Pharm. Biomed. Anal. 45(3) , 472-9, (2007)

A simple, reliable and fast procedure for the simultaneous determination of residues of some common alkylating agents (AAs), such as mesylates, besylates, tosylates and sulfates, employed in drug synt...

Determination of methyl and ethyl esters of methanesulfonic, benzenesulfonic and p-toluenesulfonic acids in active pharmaceutical ingredients by solid-phase microextraction (SPME) coupled to GC/SIM-MS.

J. Pharm. Biomed. Anal. 39(3-4) , 477-85, (2005)

The development, optimization and validation of an extraction method for methyl and ethyl esters of various sulfonic acids is presented. The extraction and determination of these esters in active phar...

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

Benzenesulfonic acid, 4-methyl-, ethyl ester

ethyl p-toluenesulfonate

EINECS 201-276-7

Ethyl 4-methylbenzenesulfonate

MFCD00009100

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

Q: What is the CAS number of Ethyl 4-Methylbenzenesulfonate?

A: CAS number of Ethyl 4-Methylbenzenesulfonate is 80-40-0.

Q: How is the water solubility of Ethyl 4-Methylbenzenesulfonate?

A: Water solubility of Ethyl 4-Methylbenzenesulfonate: Insoluble.

Q: What is the polar surface area (PSA) of Ethyl 4-Methylbenzenesulfonate?

A: Polar surface area (PSA) of Ethyl 4-Methylbenzenesulfonate is 51.75000.

Q: What is the LogP of Ethyl 4-Methylbenzenesulfonate?

A: LogP of Ethyl 4-Methylbenzenesulfonate is 1.83.

Q: What is the molecular formula of Ethyl 4-Methylbenzenesulfonate?

A: Molecular formula of Ethyl 4-Methylbenzenesulfonate is C9H12O3S.

Q: What is the melting point of Ethyl 4-Methylbenzenesulfonate?

A: Melting point of Ethyl 4-Methylbenzenesulfonate is 29-33 °C(lit.).

Q: What is the molecular weight of Ethyl 4-Methylbenzenesulfonate?

A: Molecular weight of Ethyl 4-Methylbenzenesulfonate is 200.25.

Q: What are the upstream materials of Ethyl 4-Methylbenzenesulfonate?

A: Related upstream materials(CAS) of Ethyl 4-Methylbenzenesulfonate: 25566-59-0;64-17-5;104-15-4;98-59-9;68-34-8;109-63-7;1825-62-3;75717-32-7;4819-83-4.

Q: What is the English name of Ethyl 4-Methylbenzenesulfonate?

A: The English name of Ethyl 4-Methylbenzenesulfonate is Ethyl 4-Methylbenzenesulfonate.

Q: What English synonyms does Ethyl 4-Methylbenzenesulfonate have?

A: English synonyms of Ethyl 4-Methylbenzenesulfonate: Benzenesulfonic acid, 4-methyl-, ethyl ester, ethyl p-toluenesulfonate, EINECS 201-276-7, Ethyl 4-methylbenzenesulfonate, MFCD00009100.

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.

Zhongshan Xingrui Chemical Co. , Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Ethyl 4-methylbenzenesulfonate
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Ethyl 4-methylbenzenesulfonate
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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