Sulfobernsteinsäure-bis-2-ethylhexylester, Natrium-Salz

Sodium docusate

HCID 9955175

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Grundinformationen

CAS: 577-11-7
Standard-SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.[Na]
InChIKey: ONBWNNUYXGJKKD-UHFFFAOYSA-N
Summenformel: C20H38NaO7S
Durchschnittliche Molmasse: 445,6 g/mol
Monoisotopische Masse: 445,223594

Namen und Bezeichner

Bevorzugter Name: Sodium docusate
Lokaler Name: Sulfobernsteinsäure-bis-2-ethylhexylester, Natrium-Salz
Englischer Name: Dioctyl sulfosuccinate sodium salt
Summenformel: C20H37O7S.Na
Molmasse: 445.57

Namen und Synonyme

sodium docusateAOTSCHEMBL29350448ONBWNNUYXGJKKD-UHFFFAOYSA-NDSSDOCUSATE SODIUMSODIUM DIOCTYL SULFOSUCCINATEDIOCTYL SODIUM SULFOSUCCINATEDOSSDocusateOT-75DIETHYLHEXYL SODIUM SULFOSUCCINATE

Datenbank-Bezeichner

CAS: 577-11-7
PubChem CID: 9955175

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 115 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 18
Schwere Atome: 29
Formalladung: 0
Komplexität: 539

Physikochemische Eigenschaften

Schmelzpunkt: 173 · 173-179 °C(lit.)
Siedepunkt: 82.7 °C · 82.7°C
Dichte: 1.1 · 1.1
Dampfdruck: 0 Pa · 0Pa at 25℃
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 0.1 M · methanol: 0.1 M at 20 °C, clear, colorless
Aggregatzustand: Waxy Solid
Wichte: 1.005 · 1.005_PERCENT VOLATILE: 40
Farbe: White
Wasserlöslichkeit: 1.5 g/100 · 1.5 g/100 mL (25 ºC)
Merck: 14 · 14,3401
BRN: 4117588 · 4117588
Henry's Law Constant: 2 · 2.0×106 mol/(m3Pa) at 25℃, HSDB (2015)
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen: SURFACTANT - HYDROTROPESURFACTANT - EMULSIFYINGSURFACTANT - CLEANSINGCLEANSING
InChI: 1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
InChIKey: APSBXTVYXVQYAB-UHFFFAOYSA-M
SMILES: [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
LogP: 1.998 at · 1.998 at 20℃
CAS Datenbank: 577 · 577-11-7(CAS DataBase Reference)
EPA chemische Informationen: Bis(2-ethylhexyl) sodium sulfosuccinate (577-11-7)

Sicherheit und Regulatorisches

Sicherheitsdaten

F: 3-10
wgk: 2
tsca: TSCA listed
hs_code: 29171900
RTECS-Nr.: WN0525000
risk_code: 22-38-41-36/37/38
Toxizität: LD50 oral in rat: 1900mg/kg
hazard_code: Xn,Xi
safety_code: 26-39-37/39-36
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 577-11-7(Hazardous Substances Data)
Hazard Classifications: Eye Dam. 1Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDioctyl sulfosuccinate sodium salt is a wetting and emulsifying agent that is slowly soluble in water, having a solubility of 1 g in 70 ml of water. It functions as a wetting agent in fumaric acid-containing powdered fruit drinks to help the acid dissolve in water. It is used as a stabilizing agent on gums at not more than 0.5% by weight of the gum. It is used as a flavor potentiator in canned milk where it improves and maintains the flavor of the sterilized milk during storage. It also functions as a processing aid in the manufacture of unrefined sugar. It is also termed sodium dioctylsulfosuccinate.