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スルホこはく酸1,4-ジオクチル

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

HCID 15426
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1639-66-3
標準SMILES
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O
InChIKey
OXLXSOPFNVKUMU-UHFFFAOYSA-N
分子式
C20H38O7S
平均分子量
422.6 g/mol
単同位体質量
422.23382472

概要

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

名称と識別子

優先名称
Butanedioic acid, sulfo-, 1,4-dioctyl ester
IUPAC
1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid
現地名
スルホこはく酸1,4-ジオクチル
英語名
Dioctylsulphosuccinate
分子式
C20H38O7S
分子量
422.58

名称と別名

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
名称をさらに表示
2-スルホこはく酸1,4-ジオクチル1,4-ビス(オクチルオキシ)-1,4-ジオキソブタン-2-スルホン酸2-スルホこはく酸1,4-ビスオクチル2-スルホブタン二酸1,4-ジオクチルスルホこはく酸1,4-ジオクチルDioctylsulphosuccinateButanedioic acid, 2-sulfo-, 1,4-dioctyl ester
Dioctyl-Medo forteTriton GR-7Elfanol 883Monawet MO-70Monawet MO-70 RPMonawet MO-84 R2WEmpimin OTNSC7779

データベース識別子

CAS
1639-66-3、2373-23-1
PubChem CID
15426
DTXSID
DTXSID70859663

物性

構造計算による物性

XLogP
5.7
極性表面積
115 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
20
重原子数
28
形式電荷
0
複雑度
511

物理化学的性質

比重(密度)
1.098 · 1.098±0.06 g/cm3(Predicted)
酸解離定数(Pka)
0.09 · 0.09±0.50(Predicted)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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.

安全と保護具

Disposal Methods · 1 件

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 件

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.

化学と産業

薬理情報

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 ... .

用途と製造

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

上流・下流製品情報

上流原料

プロプラノロール塩酸塩2-(ソジオオキシスルホニル)こはく酸ビスオクチル

サプライヤー1 社

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

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
EC Number
216-684-0、607-264-1
Nikkaji
J505.523G
Personal Protective Equipment (PPE)Chemical goggles; rubber gloves; dust respirator.

毒性情報

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

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 件

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

安全データ

有毒物質データの
2373-23-1(Hazardous Substances Data)