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

HCID 15426
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1639-66-3
Standard SMILES
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O
InChIKey
OXLXSOPFNVKUMU-UHFFFAOYSA-N
Molecular formula
C20H38O7S
Average molar mass
422.6 g/mol
Monoisotopic mass
422.23382472

Overview

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

Names & identifiers

Preferred name
Butanedioic acid, sulfo-, 1,4-dioctyl ester
IUPAC
1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid
English name
Dioctylsulphosuccinate
Molecular formula
C20H38O7S
Molecular weight
422.58

Names & synonyms

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
Show more names
DioctylsulphosuccinateButanedioic acid, 2-sulfo-, 1,4-dioctyl ester
Dioctyl-Medo forteTriton GR-7Elfanol 883Monawet MO-70Monawet MO-70 RPMonawet MO-84 R2WEmpimin OTNSC7779

Database identifiers

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

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
20
Heavy atoms
28
Formal charge
0
Complexity
511

Physicochemical properties

Density
1.098 · 1.098±0.06 g/cm3(Predicted)
pka
0.09 · 0.09±0.50(Predicted)
Hazardous Substances Data
2373 · 2373-23-1(Hazardous Substances Data)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 2 items

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.

Safety & protection

Disposal Methods · 1 item

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 item

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.

Chemistry & industry

Pharmacology

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 ... .

Uses & manufacturing

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

Upstream & downstream products

Upstream raw materials

Propranolol hydrochlorideSulfonated aliphatic polyester

Suppliers1 total

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

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Personal Protective Equipment (PPE)Chemical goggles; rubber gloves; dust respirator.

Toxicology

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

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 items

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

Safety data

Hazardous Substances Data
2373-23-1(Hazardous Substances Data)