Sodium 4-methylbenzenesulfonate

HCID 3720192
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Substructure searchFind similar structures

Basic information

CAS
12068-03-0
Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.[Na+]
InChIKey
KVCGISUBCHHTDD-UHFFFAOYSA-M
Molecular formula
C7H7NaO3S
Average molar mass
194.19 g/mol
Monoisotopic mass
194.00135936

Overview

Sodium Toluenesulfonate ... safe as cosmetic ingredient in the present practice of use and concentration as described in this safety assessment, when formulated to be nonirritating

Names & identifiers

Preferred name
Sodium 4-methylbenzenesulfonate
IUPAC
sodium 4-methylbenzenesulfonate
English name
Sodium p-toluenesulfonate
Molecular formula
C7H7NaO3S
Molecular weight
194.18

Names & synonyms

Sodium 4-methylbenzenesulfonateSodium tosylatep-Toluenesulfonic acid sodium saltSodium toluenesulfonate12068-03-0Sodium methylbenzenesulfonatep-Toluenesulfonic acid, sodium saltSodium p-tolylsulfonatesodium;4-methylbenzenesulfonatesodium 4-methylbenzene-1-sulfonateDTXSID9042415Sodium p-methylbenzenesulfonate
Show more names
SODIUM 4-TOLUENESULFONATEpilotsts32eltesolst90eltesolst34NAXONATE STNAXONATE 4STcyclophilsts70Tofacitib impurity 25TOSIC ACID SODIUM SALT
SODIUM P-TOLYL SULFONATE4-Toluenesulfonic acid sodium saltMFCD000643882V179P6Q43Sodium toluenesulphonateTosylate, sodiumNaxonate hydrotrope4-Methylbenzenesulfonic acid sodium salt

Database identifiers

CAS
12068-03-0、657-84-1
PubChem CID
3720192
DTXSID
DTXSID9042415
ChEMBL
CHEMBL3186382
UNII
2V179P6Q43
EC Number
235-088-1
Nikkaji
J27.492E

Properties

Computed structural properties

Topological polar surface area
65.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Sodium Toluenesulfonate) -> CIR (Cosmetic Ingredient Review)

Hydrotrope; Surfactant

Physicochemical properties

Cosmetics Ingredients Functions
SURFACTANT - HYDROTROPESURFACTANT - CLEANSING
InChI
InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKey
KVCGISUBCHHTDD-UHFFFAOYSA-M
SMILES
S([O-])(=O)(=O)C1C=CC(C)=CC=1.[Na+]
LogP
0.93 · 0.930 (est)
CAS DataBase Reference
12068 · 12068-03-0(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 29.4% (42 of 143) of reports.

Danger

H315 (32.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 143 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenesulfonic acid, methyl-, sodium salt

Benzenesulfonic acid, methyl-, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Benzenesulfonic acid, methyl-, sodium salt: Environment tier I assessment
EPA Safer ChemicalChemical: Sodium toluenesulfonate
Hazard Classes and CategoriesSkin Irrit. 2 (32.9%)

Toxicology

Toxicity Summary · 2 items

Sodium Toluenesulfonate ... safe as cosmetic ingredient in the present practice of use and concentration as described in this safety assessment, when formulated to be nonirritating

Safe for use in cosmetics, with qualifications

Safety data

wgk
1
tsca
TSCA listed
rtecs
XT7350000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Sodium Toluenesulfonate
Household ProductsInformation on 1 consumer products that contain Sodium Toluenesulfonate in the following categories is provided:
Use Classification · 3 items

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Cosmetics -> Hydrotrope; Surfactant

General Manufacturing InformationBenzenesulfonic acid, methyl-, sodium salt (1:1): ACTIVE

Suppliers63 total

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
HebeiShuoshengImportandExportco.,Ltd+86-18532138899 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

19 records
New reaction record

Compound notes

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