소듐톨루엔설포네이트

Sodium 4-methylbenzenesulfonate

HCID 3720192CAS 12068-03-0

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.[Na+]
InChIKey: KVCGISUBCHHTDD-UHFFFAOYSA-M
분자식: C7H7NaO3S
평균 분자량: 194.19 g/mol
단동위원소 질량: 194.00135936

개요

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

이름 및 식별자

우선 이름: Sodium 4-methylbenzenesulfonate
IUPAC: sodium 4-methylbenzenesulfonate
현지명: 소듐톨루엔설포네이트
영어명: Sodium p-toluenesulfonate
분자식: C7H7NaO3S
분자량: 194.18

이름 및 동의어

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

이름 더 보기

소듐톨루엔설포네이트SODIUM 4-TOLUENESULFONATEpilotsts32eltesolst90eltesolst34NAXONATE STNAXONATE 4STcyclophilsts70Tofacitib impurity 25TOSIC ACID SODIUM SALT

SODIUM P-TOLYL SULFONATE4-Toluenesulfonic acid sodium saltMFCD000643882V179P6Q43Sodium toluenesulphonateTosylate, sodiumNaxonate hydrotrope4-Methylbenzenesulfonic acid sodium salt

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 65.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 211

실험 및 물리화학적 성질

Cosmetics · 2건

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

Hydrotrope; Surfactant

물리화학적 성질

화장품 원료 기능: 계면활성제 - 하이드로트로프계면활성제 - 세정
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)
EPA: Sodium toluenesulfonate (12068-03-0)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

독성 정보

Toxicity Summary · 2건

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