ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

2,2',2''-[(メチルスタンニリジン)トリス(チオ)]トリス(酢酸6-メチルヘプチル)

Monomethyltin tris(isooctyl mercaptoacetate)

HCID 22833337
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
部分構造検索類似構造を探す

基本情報

CAS
54849-38-6
標準SMILES
CC(C)CCCCCOC(=O)C[S][Sn]([CH3])([S]CC(=O)OCCCCCC(C)C)[S]CC(=O)OCCCCCC(C)C
InChIKey
NIXLJQORAUOBAU-UHFFFAOYSA-K
分子式
C31H60O6S3Sn
平均分子量
743.7 g/mol
単同位体質量
744.257406

概要

Methyltin-tris(isooctylmercaptoacetate) is a pale yellow viscous liquid. (NTP, 1992)

名称と識別子

優先名称
Monomethyltin tris(isooctyl mercaptoacetate)
IUPAC
6-methylheptyl 2-[methyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate
現地名
2,2',2''-[(メチルスタンニリジン)トリス(チオ)]トリス(酢酸6-メチルヘプチル)
英語名
triisooctyl 2,2',2''-[(methylstannylidyne)tris(thio)]triacetate
分子式
C31H60O6S3Sn
分子量
743.7095

名称と別名

Methyltin tris(isooctyl mercaptoacetate)Methyltin tris(isooctyl thioglycolate)Triisooctyl 2,2',2''-[(methylstannylidyne)tris(thio)]triacetateRQP1D1LV9ACCRIS 6070HSDB 6101EINECS 259-374-0Stannane, tris(((isooctylthio)acetyl)oxy)methyl-MONOMETHYLTIN TRIS(ISOOCTYL MERCAPTOACETATE)Monomethyltin tris(isooctyl thioglycolate)Stannane methyltris((carboxymethyl)thio)tris isooctyl esterMONOMETHYLTIN TRIS(ISOOCTYLMERCAPTOACETATE)
名称をさらに表示
2,2',2''-[(メチルスタンニリジン)トリス(チオ)]トリス(酢酸6-メチルヘプチル)トリイソオクチル=2,2’,2’’[(メチルスタンナントリイル)トリス(チオ)]トリス[アセタト]METHYLTIN-TRIS(ISOOCTYLMERCAPTOACETATE)Monomethyltin tris(Isooctyl mercaptoacetate).Monomethylzinntris-(thioglycolsureisooctylester)Triisooctyl 2,2',2''-[(methylstannanetriyl)tris(thio)]tris[acetate]2,2',2''-[(Methylstannylidyne)tris(thio)]tris(acetic acid 6-methylheptyl) ester
Methyltin S,S',S''-tris(isooctyl mercaptoacetate)Acetic acid, 2,2',2''-((methylstannylidyne)tris(thio))tris-, triisooctyl esterMONOMETHYLTIN TRIS(ISOOCTYL MERCAPTOACETATE) [HSDB]Triisooctyl 2,2',2''-((methylstannylidyne)tris(thio))triacetateAcetic acid, 2,2',2''-((methylstannylidyne)tris(thio))tris-, 1,1',1''-triisooctyl esterAcetic acid, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, triisooctyl ester2,2',2''-((METHYLSTANNYLIDYNE)TRIS(THIO))TRISACETIC ACID TRIISOOCTYL ESTER2,2',2''-[(METHYLSTANNYLIDYNE)TRIS(THIO)]TRISACETIC ACID TRIISOOCTYL ESTER

物性

構造計算による物性

極性表面積
155 Ų
水素結合供与体数
0
水素結合受容体数
9
回転可能結合数
30
重原子数
41
形式電荷
0
複雑度
602

実験および物理化学的性質

Chemical ClassesMetals -> Tin Compounds, Organic
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 2 件

Methyltin-tris(isooctylmercaptoacetate) is a pale yellow viscous liquid. (NTP, 1992)

Pale yellow liquid; [CAMEO]

物理化学的性質

EPAの化学物質情報
Methyltin tris(isooctyl mercaptoacetate) (54849-38-6)

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 · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory InformationChemical: Acetic acid, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, triisooctyl ester
Other Safety InformationIMAP assessments - Monomethyltin alkyl mercaptoacetates: Human health tier II assessment
Fire HazardsFlash point data for this compound are not available, but it is probably combustible. (NTP, 1992)
Hazards Summary · 1 件

Of the trialkyltins, triethyltin and trimethytin are the most toxic. Large alkyl chains reduce toxicity, so that trioctyltin compounds are essentially nontoxic. [ACGIH] No information available on health hazards; [CAMEO] Causes skin irritation in rabbits, but no eye irritation; [HSDB] See Tin, organic compounds.

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
TSCA Requirements · 1 件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Mono methyltin tris(isooctylmercaptoacetate) is included on this list.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Though tin metal is very poorly absorbed, tin compounds may be absorbed via oral, inhalation, or dermal routes, with organotin compounds being much more readily absorbed than inorganic tin compounds. Tin may enter the bloodstream and bind to hemoglobin, where it is distributed and accumulates mainly in the kidney, liver, lung, and bone. Organotin compounds may undergo dealkylation, hydroxylation, dearylation, and oxidation catalyzed by cytochrome P-450 enzymes in the liver. The alkyl products of dealkylation are conjugated with glutathione and further metabolized to mercapturic acid derivatives. Tin and its metabolites are excreted mainly in the urine and feces. (L308)

用途と製造

Uses · 3 件

Used as heat stabilizer for PVC resins; [HSDB]

PVC stabilizer

HEAT STABILIZER FOR RIGID POLYVINYL CHLORIDE RESINS

Consumption PatternsESSENTIALLY 100% AS A HEAT STABILIZER FOR RIGID POLYVINYL CHLORIDE RESINS
Methods of ManufacturingREACTION OF MONOMETHYLTIN TRICHLORIDE WITH ISOOCTYL MERCAPTOACETATE.
General Manufacturing InformationAcetic acid, 2,2',2''-[(methylstannylidyne)tris(thio)]tris-, 1,1',1''-triisooctyl ester: ACTIVE

応用分野

一般的な説明Pale yellow viscous liquid.

サプライヤー3 社

Alfa Chemistry+1-5166625404 · [email protected]
重庆卡兰医药有限公司[email protected]

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

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

データベース識別子

CAS
54849-38-6
PubChem CID
22833337
DTXSID
DTXSID40881198
UNII
RQP1D1LV9A
EC Number
259-374-0
Reactivity Profile · 1 件

An organometallic complex. Strongly reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases.

Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water.
Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Acute toxicity (ingestion) - category 4

Shipment Methods and Regulations · 3 件

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Shipping Name/ Number DOT/UN/NA/IMO · 3 件

UN 3146; Organotin cmpd, solid, not otherwise specified

UN 2788; Organotin cmpd, liquid, not otherwise specified

IMO 6.1; Organotin cmpd, liquid or solid, not otherwise specified

安全と保護具

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Exposure Control and Personal Protection0.02 [mg/m3]
Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

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.

Threshold Limit Values (TLV) · 4 件

0.1 [mg/m3], as Sn

0.2 [mg/m3], as Sn

8 hr Time Weighted Avg (TWA): 0.1 mg/cu m; 15 min Short Term Exposure Limit (STEL): 0.2 mg/cu m, skin. /Tin, organic cmpd, as Sn/

A4; Not classifiable as a human carcinogen. /Tin, organic cmpd, as Sn/

Permissible Exposure Limit (PEL)0.1 [mg/m3], as Sn
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Immediately Dangerous to Life or Health (IDLH)25.0 [mg/m3], as Sn

毒性情報

Health EffectsBreathing or swallowing, or skin contact with organotins, can interfere with the way the brain and nervous system work, causing death in severe cases. Organic tin compounds may also damage the immune and reproductive system. (L307, L308)
Adverse EffectsACGIH Carcinogen - Not Classifiable.
Exposure RoutesOral (L308) ; inhalation (L308) ; dermal (L308)
Toxicity Summary · 1 件

Organotin compounds produce neurotoxic and immunotoxic effects. Organotins may directly activate glial cells contributing to neuronal cell degeneration by local release of pro-inflammatory cytokines, tumor necrosis factor-_, and/or interleukins. They may also induce apoptosis by direct action on neuronal cells. Organotin compounds stimulate the neuronal release of and/or decrease of neuronal cell uptake of neurotransmitters in brain tissue, including aspartate, GABA, glutamate, norepinephrine, and serotonin. This may be either a contributing factor to or result of the neuronal cell loss. The immunotoxic effects of organotins are characterized by thymic atrophy caused by the suppression of proliferation of immature thymocytes and apoptosis of mature thymocytes. Organotin compounds are believed to exert these effects by suppressing DNA and protein synthesis, inducing the expression of genes involved in apoptosis (such as nur77), and disrupting the regulation of intracellular calcium levels, giving rise to the uncontrolled production of reactive oxygen species, release of cytochrome c to the cytosol, and the proteolytic and nucleolytic cascade of apoptosis. The suppression of proliferation of immature thymocytes further results in the suppression of T-cell-mediated immune responses. Organotins are also endocrine disruptors and are believed to contribute to obesity by inappropriate receptor activation, leading to adipocyte differentiation. Inorganic tin triggers eryptosis, contributing to tin-induced anemia. (L308, A182, A184)

Signs and SymptomsInorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (L308)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Non-Human Toxicity ExcerptsMONOMETHYLTIN TRIS(ISOOCTYLTHIOGLYCOLATE) PRODUCED IRRITATION OF SKIN IN RABBITS, BUT NO EYE IRRITATION.
Evidence for CarcinogenicityA4; Not classifiable as a human carcinogen. /Tin, organic cmpd, as Sn/
National Toxicology Program StudiesTest results for mutagenicity of monomethyltin tris(isooctyl mercaptoacetate) in Salmonella assays were negative.

法規制情報

TSCA Requirements · 1 件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Mono methyltin tris(isooctylmercaptoacetate) is included on this list.

安全データ

tsca
TSCA listed
有毒物質データの
54849-38-6(Hazardous Substances Data)
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]