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キシレンスルホン酸アンモニウム

Ammonium Xylenesulfonate

HCID 33512
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基本情報

CAS
1079061-47-4
標準SMILES
Cc1ccc(S(=O)(=O)[O-])c(C)c1.[NH4+]
InChIKey
FGTOZJXFOAPXMR-UHFFFAOYSA-N
分子式
C8H10O3S.H3N
平均分子量
203.26 g/mol
単同位体質量
203.06161445

概要

Ammonium Xylenesulfonate ... 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
Ammonium Xylenesulfonate
IUPAC
azanium 2,4-dimethylbenzenesulfonate
現地名
キシレンスルホン酸アンモニウム
英語名
Ammonium xylenesulfonate
分子式
C8H13NO3S
分子量
203.26

名称と別名

AMMONIUM XYLENESULFONATEAmmonium xylenesulphonateEINECS 247-710-9Xylenesulfonic acid, ammonium salt26447-10-94FZY6L6XCMBenzenesulfonic acid, dimethyl-, ammonium salt (1:1)DTXSID1027899STEPANATE AXSSTEPANATE AMRefChem:557868CYCLOPHIL AXS 40
名称をさらに表示
キシレンスルホン酸アンモニウムNAXONATE 4AXXYLENESULFONATE,AMMONIUMSALTdimethyl-benzenesulfonic acid ammonium saltAmmoniumxylenesulfonate - 40% aqueous solution3,4-Dimethylbenzenesulfonic acid ammonium saltBenzenesulfonic acid, dimethyl-, ammonium saltXylenesulfonic acid ammonium salt, isomer mixture
DTXCID301778031AMMONIUM XYLENESULFONATE [INCI]Benzenesulfonic acid, dimethyl, ammonium salt247-710-9AMMONIUM XYLENE SULFONATEUNII-42LCB0IYC642LCB0IYC6Ammonium 2,4-dimethylbenzenesulfonate

データベース識別子

CAS
1079061-47-4、26447-10-9
PubChem CID
33512
DTXSID
DTXSID30274035
UNII
42LCB0IYC6
EC Number
247-710-9

物性

構造計算による物性

極性表面積
66.6 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
0
重原子数
13
形式電荷
0
複雑度
226

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Ammonium Compounds
Cosmetics · 2 件

Cosmetic ingredients (Ammonium Xylenesulfonate) -> CIR (Cosmetic Ingredient Review)

Surfactant; Viscosity controlling; Hydrotrope

Vapor Pressure50.0 [mmHg]
Physical Description · 2 件

CBI

Solid; [eChemPortal: SIDSUNEP] Available as a clear, yellow liquid with an ammonia odor that is 40% ammonium xylene sulfonate and 60% water; [MSDSonline]

物理化学的性質

安定性
安定。強力な酸化剤とは相容れない。可燃性。
化粧品成分の機能
粘度制御界面活性剤 - 洗浄界面活性剤 - ハイドロトロープ
InChI
1S/C8H10O3S.H3N/c1-6-3-4-8(7(2)5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3
InChIKey
FGTOZJXFOAPXMR-UHFFFAOYSA-N
SMILES
N.Cc1ccc(c(C)c1)S(O)(=O)=O
LogP
1.39 · 1.390 (est)
EPAの化学物質情報
Ammonium xylenesulfonate (26447-10-9)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 30.3% (46 of 152) of reports.

Warning

H319 (69.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenesulfonic acid, dimethyl-, ammonium salt

Benzenesulfonic acid, dimethyl-, ammonium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, dimethyl-, ammonium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Benzenesulfonic acid, dimethyl-, ammonium 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, dimethyl-, ammonium salt: Human health tier I assessment
Hazards Summary · 1 件

Hydrotropes are mild eye irritants; Significant absorption occurs after ingestion but not after skin application; Not skin sensitizers in animal testing; Acute toxicity in animals includes decreased activity, prostration, increased salivation, diarrhea, and congestion of the liver; [OECD SIDS: Hydrotropes - 2005] A skin and eye irritant; [MSDSonline]

EPA Safer ChemicalChemical: Ammonium xylenesulfonate
Hazard Classes and CategoriesEye Irrit. 2 (69.7%)

毒性情報

Toxicity Summary · 2 件

Ammonium Xylenesulfonate ... 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

安全データ

wgk
WGK 1
tsca
TSCA listed
ストレージクラス
11 - Combustible Solids

化学と産業

用途と製造

Uses · 3 件

CIR ingredient: Ammonium Xylenesulfonate

Used in consumer cleaning and personal care products; [eChemPortal: SIDSUNEP] Used as a catalyst and intermediate in organic synthesis; [MSDSonline]

Using Disinfectants or Biocides [Category: Clean]

U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesStabilizing agent
Industry UsesStabilizing agent
Household ProductsInformation on 109 consumer products that contain Ammonium xylenesulfonate in the following categories is provided:
Use Classification · 3 件

EPA Safer Chemical Functional Use Classes -> Surfactants

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

Cosmetics -> Surfactant; Viscosity controlling; Hydrotrope

General Manufacturing Information · 2 件

Wholesale and Retail Trade

Benzenesulfonic acid, dimethyl-, ammonium salt (1:1): ACTIVE

サプライヤー44 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Hebei Zhuanglai Chemical Trading Co.,Ltd13343047651 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业(上海)有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学(上海)有限公司021-60899189-8001 18918189673 · [email protected]
康迪斯化工(湖北)有限公司13125172151 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
湖北川合化工有限公司187-7130-7593 18672969259 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
重庆卡兰医药有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
河北贞田食品添加剂有限公司0551-77777777-5 13333333333
湖北诺纳科技有限公司027-59209883 17386169806 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]

補足説明

定義本品は、キシレン異性体の混合物をスルホン化したもののアンモニウム塩である。

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