Methyl benzenesulfonate

Modify Date: 2026-07-06 18:20:25

Methyl benzenesulfonate structure	Common Name	Methyl benzenesulfonate
	CAS Number	80-18-2	Molecular Weight	172.202
	Density	1.3±0.1 g/cm3	Boiling Point	269.1±9.0 °C at 760 mmHg
	Molecular Formula	C₇H₈O₃S	Melting Point	-4 °C
	MSDS	N/A	Flash Point	116.6±18.7 °C

Summary: Methyl benzenesulfonate (CAS号：80-18-2) is a clear to pale yellow liquid with molecular formula C7H8O3S and molecular weight 172.202. Melting point: -4°C, boiling point: 269.1±9.0°C, density: 1.3±0.1 g/cm3. For research-use only, not for medical or clinical usage.

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

Name	Methyl benzenesulfonate
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	1.3±0.1 g/cm3
Boiling Point	269.1±9.0 °C at 760 mmHg
Melting Point	-4 °C
Molecular Formula	C₇H₈O₃S
Molecular Weight	172.202
Flash Point	116.6±18.7 °C
Exact Mass	172.019409
PSA	51.75000
LogP	0.84
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.522
InChIKey	CZXGXYBOQYQXQD-UHFFFAOYSA-N
SMILES	COS(=O)(=O)c1ccccc1
Storage condition	Refrigerator

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

Methyl benzenesulfonate MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB7151000

CHEMICAL NAME :: Benzenesulfonic acid, methyl ester

CAS REGISTRY NUMBER :: 80-18-2

BEILSTEIN REFERENCE NO. :: 0908448

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H8-O3-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 740 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),82,1986

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),82,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2400 mg/kg/30D-I

TOXIC EFFECTS :: Liver - liver function tests impaired

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),82,1986

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

Hazard Codes	C:Corrosive
Risk Phrases	R22;R34
Safety Phrases	S28A-S26
RIDADR	3265
RTECS	DB7151000
Packaging Group	III
Hazard Class	8
HS Code	2916399090

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 10
CAS#:67-56-1 Methanol CAS#:98-09-9 chlorophenylsulfone CAS#:124-41-4 Sodium Methylate CAS#:1825-61-2 Trimethyl Metho...
CAS#:368-43-4 Benzenesulfonyl... CAS#:74-88-4 methyl iodide CAS#:30863-82-2 2,4,6-tris(phen... CAS#:150-76-5 Mequinol
CAS#:142-45-0 2-Butynedioic acid CAS#:934-55-4 potassium,benze...
DownStream 9
CAS#:515-42-4 Sodium benzenes... CAS#:74-87-3 Chloromethane CAS#:74-83-9 Methyl bromide CAS#:14417-01-7 Benzenesulfonam...
CAS#:938-33-0 8-Methoxyquinoline CAS#:115-10-6 dimethyl ether CAS#:98-11-3 Benzenesulfonic acid CAS#:938-16-9 2,2-dimethylpro...
CAS#:14613-33-3 benzylamine, be...

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

HS Code	2916399090
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Total 2, Current Page 1 of 1

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

benzenesulphonic acid methyl ester

MFCD00014737

Methyl benzenesulfonate

methyl benzene-sulfonate

Methyl toluene-p-sulfonate

Benzenesulfonic acid, methyl ester

methyl benzenesulphonate

EINECS 201-256-8

Benzenesulfonic acid,methyl ester

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

Q: What is the polar surface area (PSA) of Methyl benzenesulfonate?

A: Polar surface area (PSA) of Methyl benzenesulfonate is 51.75000.

Q: What is the boiling point of Methyl benzenesulfonate?

A: Boiling point of Methyl benzenesulfonate is 269.1±9.0 °C at 760 mmHg.

Q: What is the safety information for Methyl benzenesulfonate?

A: Safety information for Methyl benzenesulfonate: S28A-S26.

Q: What is the molecular formula of Methyl benzenesulfonate?

A: Molecular formula of Methyl benzenesulfonate is C7H8O3S.

Q: What is the CAS number of Methyl benzenesulfonate?

A: CAS number of Methyl benzenesulfonate is 80-18-2.

Q: What is the InChIKey of Methyl benzenesulfonate?

A: InChIKey of Methyl benzenesulfonate is CZXGXYBOQYQXQD-UHFFFAOYSA-N.

Q: What is the melting point of Methyl benzenesulfonate?

A: Melting point of Methyl benzenesulfonate is -4 °C.

Q: What is the SMILES notation of Methyl benzenesulfonate?

A: SMILES notation of Methyl benzenesulfonate is COS(=O)(=O)c1ccccc1.

Q: What are the upstream materials of Methyl benzenesulfonate?

A: Related upstream materials(CAS) of Methyl benzenesulfonate: 67-56-1;98-09-9;124-41-4;1825-61-2;368-43-4;74-88-4;30863-82-2;150-76-5;142-45-0;934-55-4.

Q: What is the molecular weight of Methyl benzenesulfonate?

A: Molecular weight of Methyl benzenesulfonate is 172.202.

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 benzenesulfonate
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Methyl benzenesulfonate
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: Methyl benzenesulfonate
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 benzenesulfonate
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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Methyl benzenesulfonate

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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.