CAS 577-11-7 Docusate Sodium - Materials / Alfa Chemistry

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Docusate Sodium

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Catalog Number

ACM577117

Product Name

Docusate Sodium

Structure

CAS

577-11-7

Category

Polymers

Synonyms

Docusate sodium salt; Sulfosuccinic acid bis(2-ethylhexyl) ester sodium salt

Description

Docusate, also known as docusate salts or dioctyl sulfosuccinate, is a laxative used to treat constipation. It is considered a good choice in children who have hard feces. For constipation due to the use of opiates it may be used with a stimulant laxative. It can be taken by mouth or rectally. Usually it works in one to three days.Side effects are uncommon. Rarely there may be abdominal cramps or diarrhea. Long term use may cause poor bowel function. Docusate is acceptable during pregnancy and breastfeeding. It is a laxative of the stool softener type and works by allowing more water to be absorbed by the feces. It typically comes in the form of a sodium, calcium, or potassium salts.It is on the World Health Organization’s List of Essential Medicines, the most important medications needed in a basic health system. It is available as a generic medication and is not very expensive. In the United States one hundred doses are about 14 USD. Dioctyl sodium sulfosuccinate is also used as a food additive, emulsifier, dispersant, and wetting agent, among others.

IUPAC Name

sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate

Molecular Weight

444.56

Molecular Formula

C20H37NaO7S

Canonical SMILES

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

InChI

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

InChI Key

APSBXTVYXVQYAB-UHFFFAOYSA-M

Melting Point

173-179 °C(lit.)

Flash Point

199ºC

Purity

≥98.0%

Density

1.1g/ml

Solubility

SOL IN WATER (G/L): 15 (25 °C), 23 (40 °C), 30 (50 °C), 55 (70 °C); SOL IN CARBON TETRACHLORIDE, PETROLEUM ETHER, NAPHTHA, XYLENE, DIBUTYL PHTHALATE, LIQUID PETROLATUM, ACETONE, ALCOHOL, VEGETABLE OILS; VERY SOL IN WATER-MISCIBLE ORGANIC SOLVENTS;FREELY SOL IN GLYCERIN;Water Solubility = 71000 mg/L @ 25 °C

Appearance

Solid

Storage

4°C, sealed storage, away from moisture and light*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Color/Form

WHITE, WAX-LIKE SOLID

Complexity

546

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

209-406-4

Exact Mass

444.21576897

Formal Charge

Hazard Statements

Xn,Xi

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Log P

4.89030

MDL Number

MFCD00012455

MeSH Entry Terms

Aerosol OT;Colace;DEH Na SS;DEH-Na-SS;diethylhexyl sodium sulfosuccinate;Dioctyl Sulfosuccinate;Dioctyl Sulfosuccinate, Sodium;Dioctyl Sulfosuccinates;Dioctyl Sulfosuccinic Acid;Dioctyl Sulfosuccinic Acid, Ammonium Salt;Dioctyl Sulfosuccinic Acid, Barium Salt;Dioctyl Sulfosuccinic Acid, Calcium Salt;Dioctyl Sulfosuccinic Acid, Magnesium Salt;Dioctyl Sulfosuccinic Acid, Potassium Salt;Dioctyl Sulfosuccinic Acid, Sodium Salt;Dioctylsulfosuccinate;Dioctylsulphosuccinate, Sodium;Docusate;Docusate Calcium;Docusate Potassium;Docusate Sodium;DOSS;Sodium Bis(2-ethylhexyl)sulfosuccinate;Sodium Dioctyl Sulfosuccinate;Sodium Dioctylsulphosuccinate;Sodium Sulfosuccinate, Diethylhexyl;Sulfosuccinate, Diethylhexyl Sodium;Sulfosuccinate, Dioctyl;Sulfosuccinates, Dioctyl;Sulfosuccinic Acid bis(2-Ethylhexyl) Ester

Monoisotopic Mass

444.21576897

Odor

CHARACTERISTIC ODOR

Rotatable Bond Count

Safety Description

26-39-37/39-36

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Storage Conditions

2-8ºC

Supplemental Hazard Statements