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Butanedioic acid, sulfo-, 1,4-dioctyl ester

HCID 15426
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GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
1639-66-3
Standard-SMILES
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O
InChIKey
OXLXSOPFNVKUMU-UHFFFAOYSA-N
Summenformel
C20H38O7S
Durchschnittliche Molmasse
422,6 g/mol
Monoisotopische Masse
422,23382472

Überblick

See also: Dioctyl Sodium Sulfosuccinate (annotation moved to) ... View More ...

Namen und Bezeichner

Bevorzugter Name
Butanedioic acid, sulfo-, 1,4-dioctyl ester
IUPAC
1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid
Englischer Name
Dioctylsulphosuccinate
Summenformel
C20H38O7S
Molmasse
422.58

Namen und Synonyme

Butanedioic acid, sulfo-, 1,4-dioctyl esterRefChem:571187Butanedioic acid, sulfo-, 1,4-dioctyl ester (9CI)2373-23-11,4-Bis(octyloxy)-1,4-dioxobutane-2-sulfonic acidSuccinic acid, sulfo-, 1,4-dioctyl esterSolbaleiteManoxolButyl-cerumenBu-cerumenPelex OTAerosol OT-B
Weitere Namen anzeigen
DioctylsulphosuccinateButanedioic acid, 2-sulfo-, 1,4-dioctyl ester
Dioctyl-Medo forteTriton GR-7Elfanol 883Monawet MO-70Monawet MO-70 RPMonawet MO-84 R2WEmpimin OTNSC7779

Datenbank-Bezeichner

CAS
1639-66-3、2373-23-1
PubChem CID
15426
DTXSID
DTXSID70859663
EC Number
216-684-0、607-264-1
Nikkaji
J505.523G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,7
Polarare Oberfläche (TPSA)
115 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
20
Schwere Atome
28
Formalladung
0
Komplexität
511

Physikochemische Eigenschaften

Dichte
1.098 · 1.098±0.06 g/cm3(Predicted)
pka
0.09 · 0.09±0.50(Predicted)

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 · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt

Di-n-octyl sodium sulfosuccinate: 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.

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Skin, Eye, and Respiratory IrritationsLiquid is strong irritant to eye and may irritate skin by removing natural oils.

Sicherheit und Schutzausrüstung

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.

Preventive Measures · 1 Eintrag

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Chemie und Industrie

Pharmakologische Informationen

Mechanism of ActionThe laxative action is said to result from enhanced penetration of water into the fecal mass in the presence of the wetting agent. ... Action on the intestinal mucosa may contribute to or account for the laxative effect.
Absorption, Distribution and Excretion... Docusate sodium is absorbed, appears in the bile in significant concn ... .

Verwendung und Herstellung

UsesMEDICATION
Household ProductsInformation on 3 consumer products that contain Sodium di-n-octyl sulfosuccinate in the following categories is provided:

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

[2-Hydroxy-3-(naphthyloxy)propyl]isopropylammoniumchloridNatriumdioctylsulfosuccinat

Anbieter1 Anbieter

江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]

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Personal Protective Equipment (PPE)Chemical goggles; rubber gloves; dust respirator.

Toxikologische Informationen

InteractionsDocusates increase the intestinal absorption of other drugs administered concurrently and may increase their toxicity. /Docusates/
Human Toxicity Excerpts · 3 Einträge

Ingestion causes diarrhea and intestinal bloating.

The docusates are well tolerated. Cramping pains have been reported occasionally, and the liquid preparations sometimes cause nausea. /Docusates/

Of particular concern are the observations that docusate sodium is absorbed, appears in the bile in significant conc, and has cytotoxic effects on liver cells in tissue culture.

Non-Human Toxicity Excerpts · 3 Einträge

Water and salt accumulated in ligated colonic segments of DSS-treated rats whereas net absorption of isotonic saline solution occurred in control rats. When segments of rodent ileum, jejunum and colon were perfused with 0.5 mM DSS, mucosal cells were flattened and their brush borders disappeared. ... Only diarrhea and intestinal bloating are reported in animals given toxic doses.

In chronic feeding tests, fatally poisoned rats showed no gross lesions outside of the GI.

Eye irritation may be caused by solutions containing more than 0.1% DSS.

Non-Human Toxicity ValuesLD50 Rat oral 1.9 g/kg

Sicherheitsdaten

Giftige Stoffe Daten
2373-23-1(Hazardous Substances Data)