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| CAS No.: | 57583-34-3 |
|---|---|
| Name: | 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate |
| Molecular Structure: | |
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| Formula: | C31H60O6S3Sn |
| Molecular Weight: | 743.78 |
| Synonyms: | Methyltintris(2-ethylhexyl mercaptoacetate);Methyltin tris(2-ethylhexyl thioglycolate);Monomethyltin tris(2-ethylhexyl mercaptoacetate); |
| EINECS: | 260-828-5 |
| Density: | 1.2-1200[at 20℃] |
| Boiling Point: | 657 °C at 760 mmHg |
| Flash Point: | 351.1 °C |
| Solubility: | 2.16mg/L at 20℃ |
| PSA: | 154.80000 |
| LogP: | 9.03350 |
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Consensus Reports
Standards and Recommendations
ACGIH TLV: TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
NIOSH REL: (Organotin Compounds) TWA 0.1 mg(Sn)/m3
Analytical Methods
Specification
The Methyltris(2-ethylhexyloxycarbonyl-methylthio)stannane, with the CAS registry number 57583-34-3, is also known as Tin, methyl-, tris(isooctyl thioglycollate). Its EINECS registry number is 260-828-5. This chemical's molecular formula is C31H60O6S3Sn and molecular weight is 743.71. Its IUPAC name is called 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate. This chemical's classification code is Organometallic.
Physical properties of Methyltris(2-ethylhexyloxycarbonyl-methylthio)stannane: (1)ACD/LogP: 17.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 17.49; (4)ACD/LogD (pH 7.4): 17.49; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 30; (11)Flash Point: 351.1 °C; (12)Enthalpy of Vaporization: 96.73 kJ/mol; (13)Boiling Point: 657 °C at 760 mmHg; (14)Vapour Pressure: 3.89E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
(2)InChI: InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3
(3)InChIKey: ACRNSUGLVQJCOM-UHFFFAOYSA-K
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 920mg/kg (920mg/kg) | Tin Research Institute, Publication. Vol. -, Pg. 1, 1973. |