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Solbaleite

HCID 21867904
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1639-66-3
Standard SMILES
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.[Na+]
InChIKey
RCIJACVHOIKRAP-UHFFFAOYSA-N
Molecular formula
C20H38NaO7S+
Average molar mass
445.6 g/mol
Monoisotopic mass
445.223594

Overview

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

Names & identifiers

Preferred name
Solbaleite
IUPAC
sodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid
English name
Sulfonated aliphatic polyester
Molecular formula
C20H39NaO7S
Molecular weight
446.57

Names & synonyms

SolbaleiteManoxolButyl-cerumenBu-cerumenPelex OTAerosol OT-BDioctyl-Medo forteTriton GR-7Elfanol 883Monawet MO-701639-66-3Monawet MO-70 RP
Show more names
Sodium diethylhexyl sulfosuccinateSodium 1,4-bis(octyloxy)-1,4-dioxobutane-2-sulfonateelfanol883Penetrant Tmonawetmo-70Penetrant OTmonawetmo-70rpJACS-1639-66-3
Monawet MO-84 R2WNSC7779C20H38NaO7S+sodium;1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acidSuccinic acid, dioctyl ester, sodium saltSuccinic acid, 1,4-dioctyl ester, sodium saltButanedioic acid, 1,4-dioctyl ester, sodium saltsodium;1,4-dioctoxy-1,4-dioxo-butane-2-sulfonic acid

Database identifiers

CAS
1639-66-3
PubChem CID
21867904
EC Number
216-684-0

Properties

Computed structural properties

Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
20
Heavy atoms
29
Formal charge
1
Complexity
511

Physicochemical properties

storage temp.
Store at room temperature, keep dry and cool
Appearance
Colorless to light yellow Liquid
Cosmetic Ingredient Review (CIR)
SULFONATED ALIPHATIC POLYESTER (1639-66-3)
InChI
InChI=1S/C20H38O7S.Na.H/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;;/h18H,3-17H2,1-2H3,(H,23,24,25);;
InChIKey
MDXHMBGGFODZQG-UHFFFAOYSA-N
SMILES
C(S(O)(=O)=O)(C(=O)OCCCCCCCC)CC(=O)OCCCCCCCC.[NaH]
EWG's Food Scores
1 · 1
FDA UNII
4 YLY5570Y0 · 4YLY5570Y0
EPA Substance Registry System
Di-n-octyl sodium sulfosuccinate (1639-66-3)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501
TSCA
TSCA listed

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:
Applications · 1 item

UsesDioctylsulfosuccinic Acid Sodium Salt is a surfactant which can be used in the preparation of microemulsions of ionic liquid-CdS quantum dots hybrid materials as potential white light harvesting systems. It can also be useful in the study of micelle aggregation. It is a related compound of Docusate (CAS # 10041-19-7), which is used in the treatment of constipation.

Upstream & downstream products

Upstream raw materials

2-Ethylhexanolp-Toluenesulfonic acidMaleic anhydrideAlcoholMixturePara tolueneEsterified product

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Hazardous Substances Data
1639 · 1639-66-3(Hazardous Substances Data)
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

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501
Hazardous Substances Data
1639-66-3(Hazardous Substances Data)
Sodium metabisulfite

Downstream products

penetrating agent TXscouring agent TS-DHCDioctylsulphosuccinate

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
桑达化工(南通)有限公司0513-88168817 13862717117 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
湖北科麦迪化工有限公司18372743325 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
浙江新海天生物科技有限公司008615925805416 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
湖北楚盛威化工有限公司87891008 18971625309 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
康迪斯化工(湖北)有限公司13125172151 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
桦特昇生物科技(武汉)有限公司027-59207879 1972026995 18140587686 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北兴银河化工有限公司13437271305 · [email protected]
启源(广东)医药化工有限公司18026564465 · [email protected]
河南沃咖斯生物科技有限公司18537671377 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
武汉卡诺斯科技有限公司18064039730 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
南通新宝源化工有限公司0513-88860722 15365502058 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]