Docusate , Surfactant laxative, CAS No.10041-19-7, Surfactant laxative

CAS: 10041-19-7 Cat. No.: D670920 Formule: C20H38O7S Poids moléculaire: 422.6
DISPONIBLE À COMMANDE
Synonyms
DOCUSATE | Q27105309 | DOCUSATES (MART.) | M7P27195AG | DOCUSATE [VANDF] | 1,4-Bis(2-ethylhexyl) 2-sulphosuccinate | 1,4-Bis(2-ethylhexyloxy)-1,4-dioxo-2-butansulfonsaeure [IUPAC] | DTXSID1044279 | bis(2-ethylhexyl) sulfosuccinate | Butanedionic acid, sul
Storage
Room temperature
★
Size
USA
Allemagne (EU)*
Price
Qty
1mg
D670920-1mg
Sur commande · 8–12 semaines
999,90$US
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
DOCUSATE | Q27105309 | DOCUSATES (MART.) | M7P27195AG | DOCUSATE [VANDF] | 1,4-Bis(2-ethylhexyl) 2-sulphosuccinate | 1,4-Bis(2-ethylhexyloxy)-1,4-dioxo-2-butansulfonsaeure [IUPAC] | DTXSID1044279 | bis(2-ethylhexyl) sulfosuccinate | Butanedionic acid, sul
Conditions de stockage de stockage
Room temperature
Mécanisme d'action
Surfactant laxative
Propriétés du produit
ALogP
5.1
Noms et identifiants
Sourires canoniques
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
IUPAC Name
1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
InChIKey
HNSDLXPSAYFUHK-UHFFFAOYSA-N
INCHI
1S/C20H38O7S/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)
Isomères SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
Poids moléculaire
422.6
Reaxy-Rn
1808229
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1808229&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClasseFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Dicarboxylic acids and derivatives  Sulfonyls  Organosulfonic acids  Alkanesulfonic acids  Carboxylic acid esters  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Dicarboxylic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxylic acid ester - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors alkanesulfonic acid - succinate ester
Structure 3D
Modèle de structure chimique interactif





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Cibles associées (non humaines)
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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire422.600 g/mol
XLogP35.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass422.234 Da
Monoisotopic Mass422.234 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity539.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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