ナトリウム＝4-トルエンスルホナート

Sodium 4-methylbenzenesulfonate

HCID 3720192CAS 12068-03-0

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.[Na+]
InChIKey: KVCGISUBCHHTDD-UHFFFAOYSA-M
分子式: C7H7NaO3S
平均分子量: 194.19 g/mol
単同位体質量: 194.00135936

概要

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

名称と識別子

優先名称: Sodium 4-methylbenzenesulfonate
IUPAC: sodium 4-methylbenzenesulfonate
現地名: ナトリウム＝4-トルエンスルホナート
英語名: Sodium p-toluenesulfonate
分子式: C7H7NaO3S
分子量: 194.18

名称と別名

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

名称をさらに表示

ナトリウム＝4-トルエンスルホナート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

データベース識別子

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

物性

構造計算による物性

極性表面積: 65.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 211

実験および物理化学的性質

Cosmetics · 2 件

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

Hydrotrope; Surfactant

物理化学的性質

化粧品成分の機能: 界面活性剤 - ハイドロトロープ界面活性剤 - 洗浄
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 データベース: 12068 · 12068-03-0(CAS DataBase Reference)
EPAの化学物質情報: Sodium toluenesulfonate (12068-03-0)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

毒性情報

Toxicity Summary · 2 件

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