基本情報
- CAS
57583-34-3- 標準SMILES
CCCCC(CC)COC(=O)C[S][Sn]([CH3])([S]CC(=O)OCC(CC)CCCC)[S]CC(=O)OCC(CC)CCCC- InChIKey
ACRNSUGLVQJCOM-UHFFFAOYSA-K- 分子式
- C31H60O6S3Sn
- 平均分子量
- 743.7 g/mol
- 単同位体質量
- 744.257406
名称と識別子
- 優先名称
- 2-Ethylhexyl 10-ethyl-4-((2-((2-ethylhexyl)oxy)-2-oxoethyl)thio)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
- IUPAC
- 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate
- 現地名
- メチルトリス[(2-エチルヘキシル)オキシカルボニルメチルチオ]スタンナン
- 英語名
- 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
- 分子式
- C31H60O6S3Sn
- 分子量
- 743.71
名称と別名
Methyltin tris(2-ethylhexyl mercaptoacetate)2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoateDTXSID40280422-Ethylhexyl 10-ethyl-4-((2-((2-ethylhexyl)oxy)-2-oxoethyl)thio)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-((2-((2-ethylhexyl)oxy)-2-oxoethyl)thio)-4-methyl-7-oxo-, 2-ethylhexyl ester260-828-58-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl esterRefChem:471958DTXCID8080428-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-2-(2-ethylhexyl)oxy-2-oxoethylthio-4-methyl-7-oxo-, 2-ethylhexyl ester57583-34-3Methyltris(2-ethylhexyloxycarbonylmethylthio)stannane
名称をさらに表示
メチルトリス[(2-エチルヘキシル)オキシカルボニルメチルチオ]スタンナントリス[[2-[(2-エチルヘキシル)オキシ]-2-オキソエチル]チオ](メチル)スタンナンモノメチルチン トリ（イソオクチルチオグリコラート）
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
- 608
実験および物理化学的性質
Polymers
Plastics -> Heat stabilisers
Plastics -> PVC (soft); PVC (rigid)
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 657 · 657.0±65.0 °C(Predicted)
- 比重(密度)
- 1.2 · 1.2-1200[at 20℃]
- 蒸気圧
- 0.38 Pa · 0.38Pa at 25℃
- 溶解性
- 250 g/L · 250g/L in organic solvents at 20 ℃
- 水溶解度
- 2.16 mg/L · 2.16mg/L at 20℃
- LogP
- 5.06 at · 5.06 at 20℃
- EPAの化学物質情報
- Methyltintris(2-ethylhexyl mercaptoacetate) (57583-34-3)
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
Warning
H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H302 (85.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P262, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P316, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester
8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate (EC: 260-828-5)
8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-2-(2-ethylhexyl)oxy-2-oxoethylthio-4-methyl-7-oxo-, 2-ethylhexyl ester: 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.
Other Safety InformationIMAP assessments - Monomethyltin alkyl mercaptoacetates: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (85.2%)
Acute toxicity (ingestion) - category 4
Repr. 2
化学と産業
用途と製造
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesProcessing aids not otherwise specified
Industry UsesIntermediate
Use Classification
Plastics -> Polymer Type -> PVC (soft); PVC (rigid)
Plastics -> Heat stabilisers
General Manufacturing Information
Plastics Material and Resin Manufacturing
8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester: ACTIVE
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