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Natriumxylolsulfonat

Sodium Xylenesulfonate

HCID 23668192
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GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
1300-72-7
Standard-SMILES
Cc1ccc(S(=O)(=O)[O-])cc1C.[Na+]
InChIKey
QUCDWLYKDRVKMI-UHFFFAOYSA-M
Summenformel
C8H9NaO3S
Durchschnittliche Molmasse
208,21 g/mol
Monoisotopische Masse
208,0170096

Namen und Bezeichner

Bevorzugter Name
Sodium Xylenesulfonate
IUPAC
sodium 3,4-dimethylbenzenesulfonate
Lokaler Name
Natriumxylolsulfonat
Englischer Name
Sodium xylenesulfonate
Summenformel
C8H9NaO3S
Molmasse
208.21

Namen und Synonyme

SODIUM XYLENESULFONATENaxonateXylenesulfonic Acid Sodium SaltHydrotropeStepanate XNaxonate GRichonate SXSCyclophil sxs30Conco SXSSurco SXSUltrawet 40SXEltesol SX 30
Weitere Namen anzeigen
SXSSodium xylenesulfonaSODIUM XYLENE SULPHONATE 40% SOLUTIONconcosxssurcosxsnaxonategnci-c55403
Xylenesulfonic acid, sodium saltSodium xylenesulphonateCaswell No. 799AG4LZF950URSodium dimethylbenzenesulfonateCCRIS 4893HSDB 776Benzenesulfonic acid, dimethyl-, sodium salt

Datenbank-Bezeichner

CAS
1300-72-7、29734-26-7、827-93-0
PubChem CID
23668192
DTXSID
DTXSID70274034
ChEMBL
CHEMBL1559841
UNII
2OYF82G7KK
EC Number
215-090-9
Nikkaji
J589.161B

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
65,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
13
Formalladung
0
Komplexität
245

Experimentelle und physikochemische Eigenschaften

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

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 Einträge

315 °F at 760 mmHg (NTP, 1992)

157 °C

Melting Point · 2 Einträge

81 °F (NTP, 1992)

27 °C

Vapor Density · 2 Einträge

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

Relative vapor density (air = 1): 6.45

Physical Description · 3 Einträge

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

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

WHITE CRYSTALS OR POWDER.

Physikochemische Eigenschaften

Schmelzpunkt
27 °C · 27°C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.;Reported as not meeting GHS hazard criteria per 556 of 1675 reports by companies.;There are 11 notifications provided by 1119 of 1675 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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;Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire Hazards · 2 Einträge

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 Eintrag

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.;ACUTE/CHRONIC HAZARDS: This compound may irritate the nose, eyes, throat and skin. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide, sulfur oxides and sodium oxides. (NTP, 1992)

Chemie und Industrie

Pharmakologische Informationen

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

Verwendung und Herstellung

Uses · 6 Einträge

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];Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [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 Einträge

(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 Products · 1 Eintrag

Information on 393 consumer products that contain Sodium xylenesulfonate in the following categories is provided:;• Auto Products;• Commercial / Institutional;• Home Maintenance;• Inside the Home;• Landscaping/Yard;• Personal Care;• Pet Care

Zugehörige Reaktionen

3
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1414434
HRID 1414434als Eduktuspto-grants-1977_01
Reaktionsgleichung von HRID 1976277
HRID 1976277als Eduktuspto-grants-2001_05
Reaktionsgleichung von HRID 2186639
HRID 2186639als Eduktuspto-grants-2002_06

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Siedepunkt
157 °C · 157°C
Dichte
1.17 g/mL · 1.17 g/mL at 25 °C
Brechungsindex
20 · n20/D 1.405
Löslichkeit
Methanol (Slightly, Heated), Water (Slightly)
Aggregatzustand
Solid
Farbe
White to Off-White
Wasserlöslichkeit
10 g/100 · >=10 g/100 mL at 20 ºC
Stabilität
Stable. Combustible. Incompatible with acids, oxidizing agents. Moisture-sensitive.
Kosmetik-Inhaltsstoffe Funktionen
SURFACTANT - HYDROTROPE
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 Datenbank
1300 · 1300-72-7(CAS DataBase Reference)
EPA chemische Informationen
Sodium xylenesulfonate (1300-72-7)
Hazards Summary · 1 Eintrag

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]

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 Einträge

Eye Irrit. 2 (66.8%)

Eye irritation - category 2A

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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 Einträge

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 Eintrag

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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)

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

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.;STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and protect it from moisture. If possible, it would be prudent to store this compound under inert atmosphere. (NTP, 1992)

Disposal Methods · 1 Eintrag

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.

Toxikologische Informationen

Toxicity Summary · 2 Einträge

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 Einträge

Cough. Sore throat.

Redness.

Redness.

Ongoing Test Status · 1 Eintrag

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 Einträge

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 Einträge

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 Eintrag

... 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.

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

Sicherheitsdaten

wgk
1
tsca
TSCA listed
RTECS-Nr.
ZE5100000
risk_code
36/37/38-36
hazard_code
Xi
safety_code
26-36-37/39
Speicherklasse
11 - Combustible Solids
Giftige Stoffe Daten
1300-72-7(Hazardous Substances Data)
Hazard Classifications
Eye Irrit. 2
Use ClassificationCosmetics -> Hydrotrope
General Manufacturing Information · 2 Einträge

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.

Anwendungen

VerwendenSodium xylenesulfonate solution may be used in chemical synthesis studies.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Xylol, IsomerengemischSchwefelsure

Anbieter100 Anbieter

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