ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /化合物

キシレンスルホン酸ナトリウム

Sodium Xylenesulfonate

HCID 23668192
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
1300-72-7
標準SMILES
Cc1ccc(S(=O)(=O)[O-])cc1C.[Na+]
InChIKey
QUCDWLYKDRVKMI-UHFFFAOYSA-M
分子式
C8H9NaO3S
平均分子量
208.21 g/mol
単同位体質量
208.0170096

概要

Xylenesulfonic acid, sodium salt is an odorless white crystalline powder. (NTP, 1992)

名称と識別子

優先名称
Sodium Xylenesulfonate
IUPAC
sodium 3,4-dimethylbenzenesulfonate
現地名
キシレンスルホン酸ナトリウム
英語名
Sodium xylenesulfonate
分子式
C8H9NaO3S
分子量
208.21

名称と別名

SODIUM XYLENESULFONATENaxonateXylenesulfonic Acid Sodium SaltHydrotropeStepanate XNaxonate GRichonate SXSCyclophil sxs30Conco SXSSurco SXSUltrawet 40SXEltesol SX 30
名称をさらに表示
キシレンスルホン酸ナトリウムナトリウム=ジメチルベンゼンスルホナートキシレンスルホン酸NAキシレンスルホン酸ナトリウム塩キシレンスルホン酸ナトリウム 溶液SXSSodium xylenesulfonaSODIUM XYLENE SULPHONATE 40% SOLUTIONconcosxssurcosxsnaxonategnci-c55403
Xylenesulfonic acid, sodium saltSodium xylenesulphonateCaswell No. 799AG4LZF950URSodium dimethylbenzenesulfonateCCRIS 4893HSDB 776Benzenesulfonic acid, dimethyl-, sodium salt

データベース識別子

CAS
1300-72-7、827-93-0
PubChem CID
23668192
DTXSID
DTXSID70274034
ChEMBL
CHEMBL1559841
UNII
2OYF82G7KK
EC Number
215-090-9
Nikkaji
J589.161B

物性

構造計算による物性

極性表面積
65.6 Ų
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
13
形式電荷
0
複雑度
245

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Cosmetics · 2 件

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

Hydrotrope

Density1.23 (NTP, 1992) - Denser than water; will sink
Solubility · 2 件

greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)

Solubility in water, g/100ml at 20 °C: 40

Boiling Point · 2 件

315 °F at 760 mmHg (NTP, 1992)

157 °C

Melting Point · 2 件

81 °F (NTP, 1992)

27 °C

Vapor Density · 2 件

6.45 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Relative vapor density (air = 1): 6.45

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 3 件

Xylenesulfonic acid, sodium salt is an odorless white crystalline powder. (NTP, 1992)

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 · 6 件

This chemical does not meet GHS hazard criteria for 33.2% (556 of 1675) of reports.

Warning

H319 (66.8%): 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 1675 reports by companies from 12 notifications to the ECHA C&L Inventory.

Warning

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenesulfonic acid, dimethyl-, sodium salt

Benzenesulphonic acid, dimethyl-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenesulfonic acid, dimethyl-, sodium salt: Human health tier II assessment
Fire Hazards · 2 件

Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

Gives off irritating or toxic fumes (or gases) in a fire.

Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, nose, throat and skin, blisters, sensitization, coughing and chest discomfort. Redness, soreness, papular dermatitis, thickening of the skin, weeping, cracking and scaling may also occur. Other symptoms may include diarrhea, intestinal distention and, occasionally, vomiting.

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, eye, and respiratory tract irritant; [ICSC] An irritant; [MSDSonline]

化学と産業

薬理情報

Absorption, Distribution and ExcretionABSORBED SULFONATES ARE QUICKLY DISTRIBUTED THROUGH LIVING SYSTEMS, BUT ALSO READILY EXCRETED. /SULFONATES/

用途と製造

Uses · 6 件

CIR ingredient: Sodium Xylenesulfonate

Used as a hydrotropic solvent in liquid household detergents, shampoos, degreasing compounds, glues in the leather industry, and printing pastes in the textile industry; Also used to extract pentosans and lignin in the paper industry; [HSDB]

Pulp and Paper Processing [Category: Industry]

SOLUBILIZER /TECHNICAL/

HYDROTROPE IN LIQUID HOUSEHOLD DETERGENTS, SHAMPOOS, & DEGREASING CMPD USED IN TEXTILE INDUST, PRINTING PASTES USED IN TEXTILE INDUST; AGENT TO EXTRACT PENTOSANS & LIGNIN IN PAPER INDUST; ADDITIVE FOR GLUES USED IN LEATHER INDUST

...coupling agents, solubilizers, or hydrotope...in commercial...liquid detergent compositions, both for hand dish washing and laundering, where high concentrations of organic surfactants need to be kept in homogeneous solution

U.S. Production · 2 件

(1973) 1.81X10+10 GRAMS

(1975) 1.54X10+10 GRAMS

Consumption PatternsIT IS BELIEVED THAT BY FAR THE MAJOR USE IS AS A HYDROTROPE IN LIQUID HOUSEHOLD DETERGENTS (1976)
Methods of ManufacturingSULFONATION OF XYLENE WITH OLEUM FOLLOWED BY NEUTRALIZATION WITH SODIUM HYDROXIDE
Formulations/PreparationsNAXONATE /IS/ TECHNICAL GRADE OF SODIUM XYLENESULFONATE...
Household ProductsInformation on 393 consumer products that contain Sodium xylenesulfonate in the following categories is provided:
Use ClassificationCosmetics -> Hydrotrope

関連反応

3 件
反応記録を作成
HRID 1414434 の反応式
HRID 1414434反応物としてuspto-grants-1977_01
HRID 1976277 の反応式
HRID 1976277反応物としてuspto-grants-2001_05
HRID 2186639 の反応式
HRID 2186639反応物としてuspto-grants-2002_06

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す

White solid; [ICSC] Colorless solid; [CHEMINFO] Faintly beige powder; [MSDSonline]

WHITE CRYSTALS OR POWDER.

物理化学的性質

融点
27 °C · 27°C
沸点
157 °C · 157°C
比重(密度)
1.17 g/mL · 1.17 g/mL at 25 °C
屈折率
20 · n20/D 1.405
溶解性
Methanol (Slightly, Heated), Water (Slightly)
外見
Solid
色
White to Off-White
水溶解度
10 g/100 · >=10 g/100 mL at 20 ºC
安定性
安定。可燃性。酸、酸化剤と相容れない。湿気に敏感。
化粧品成分の機能
界面活性剤 - ハイドロトロープ
InChI
InChI=1S/C8H10O3S.Na/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1
InChIKey
QUCDWLYKDRVKMI-UHFFFAOYSA-M
SMILES
S([O-])(=O)(=O)C1C=CC(C)=C(C)C=1.[Na+]
LogP
1.39 · 1.390 (est)
CAS データベース
1300 · 1300-72-7(CAS DataBase Reference)
EPAの化学物質情報
Sodium xylenesulfonate (1300-72-7)

化学的性質

化学的特性Sodium xylenesulfonate is white crystals or powder

Reactive GroupSalts, Acidic
Reactivity ProfileXYLENESULFONIC ACID, SODIUM SALT is incompatible with acids and oxidizing materials. (NTP, 1992).
Chemical DangersDecomposes on burning. This produces sulfur oxides. The solution in water is a weak base. Reacts with strong oxidants.
Air and Water ReactionsWater soluble. May be sensitive to moisture.
Hazard Classes and Categories · 2 件

Eye Irrit. 2 (66.8%)

Eye irritation - category 2A

安全と保護具

Fire Fighting · 2 件

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

Use water spray, powder, alcohol-resistant foam, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink.

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Safe StorageSeparated from strong oxidants.
Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage DisposalSweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.
Eye PreventionWear safety goggles.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.

毒性情報

Toxicity Summary · 2 件

Sodium 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

Signs and Symptoms · 3 件

Cough. Sore throat.

Redness.

Redness.

Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=1300-72-7]

Human Toxicity ExcerptsFREE ARYLSULFONIC ACIDS ARE HIGHLY TOXIC. THEIR METAL SALTS ESPECIALLY SODIUM ARE OF RELATIVELY LOW TOXICITY. /SULFONATES/
Carcinogen Classification · 6 件

Sodium Xylenesulfonate

TR-464: Toxicology and Carcinogenesis Studies of Technical Grade Sodium Xylenesulfonate (CASRN 1300-72-7) in F344/N Rats and B6C3F1 Mice (Dermal Studies) (1998 )

12/05/95

No Evidence

No Evidence

No Evidence

Non-Human Toxicity Excerpts · 2 件

Xylenesulfonic acid, Na salt, (XSA) was tested for mutagenicity in Salmonella/microsome preincubation assay using a protocol approved by the National Toxicology Program. XSA was tested over a wide range of doses (0, 100, 333, 1000, 3333, and 10,000 ug/plate) in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. XSA was negative in these tests and the highest ineffective dose level tested in any Salmonella tester strain was 10,000 ug/plate.

... Conclusions: Under the conditions of these 2 yr dermal studies, there was no evidence of carcinogenic activity of sodium xylenesulfonate in male or female F344/N rats administered 60, 120 or 240 mg/kg or in male or female B6C3F1 mice administered 182, 364 or 727 mg/kg.

National Toxicology Program Studies · 1 件

... Groups of 50 male and 50 female F344/N rats were dermally administered 0, 60, 120 or 240 mg sodium xylene sulfonate/kg bw in 50% ethanol for 104 wk. ... Groups of 50 male and 50 female B6C3F1 mice were dermally administered 0, 182, 364 or 727 mg sodium xylenesulfonate/kg bw in 50% ethanol for 104 to 105 wk. ... Conclusions: Under the conditions of these 2 yr dermal studies, there was no evidence of carcinogenic activity of sodium xylenesulfonate in male or female F344/N rats administered 60, 120 or 240 mg/kg or in male or female B6C3F1 mice administered 182, 364 or 727 mg/kg.

安全データ

wgk
1
tsca
TSCA listed
rtecs
ZE5100000
risk_code
36/37/38-36
化審法
一般化学物質
hazard_code
Xi
safety_code
26-36-37/39
Hazard Classifications
Eye Irrit. 2
ストレージクラス
11 - Combustible Solids
有毒物質データの
1300-72-7(Hazardous Substances Data)
General Manufacturing Information · 2 件

BY ADJUSTING THE CONCN OF A NUMBER OF HYDROTROPES, EG, DIETHANOLAMINE, TRIETHANOLAMINE, AND ETHANOL, SODIUM XYLENESULFONATE IN NONIONIC-ANIONIC SYSTEMS WAS DECREASED.

STABLE GEL-TYPE PERFUME COMPOSITIONS CONTAINING 0.1-5 WT % HYDROTROPIC ALKALI METAL BENZOATES, P-TOLUENESULFONATE, OR XYLENESULFONATES AS STABILIZERS WERE PREPD.

応用分野

使用Sodium xylenesulfonate solution may be used in chemical synthesis studies.

上流・下流製品情報

上流原料

キシレン硫酸水素

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ナトリウム塩であり、次の化学式で表される。