Natriumtoluolsulfonat

Sodium 4-methylbenzenesulfonate

HCID 3720192CAS 12068-03-0

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Grundinformationen

Standard-SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.[Na+]
InChIKey: KVCGISUBCHHTDD-UHFFFAOYSA-M
Summenformel: C7H7NaO3S
Durchschnittliche Molmasse: 194,19 g/mol
Monoisotopische Masse: 194,00135936

Überblick

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

Namen und Bezeichner

Bevorzugter Name: Sodium 4-methylbenzenesulfonate
IUPAC: sodium 4-methylbenzenesulfonate
Lokaler Name: Natriumtoluolsulfonat
Englischer Name: Sodium p-toluenesulfonate
Summenformel: C7H7NaO3S
Molmasse: 194.18

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 65,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 211

Experimentelle und physikochemische Eigenschaften

Cosmetics · 2 Einträge

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

Hydrotrope; Surfactant

Physikochemische Eigenschaften

Kosmetik-Inhaltsstoffe Funktionen: 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 Datenbank: 12068 · 12068-03-0(CAS DataBase Reference)
EPA chemische Informationen: Sodium toluenesulfonate (12068-03-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Toxikologische Informationen

Toxicity Summary · 2 Einträge

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