CAS No.57583-34-3,2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate Suppliers

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Basic Information

Molecular Structure:
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

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

Tin, methyl-, tris(isooctyl thioglycollate)(57583-34-3) was reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 0.1 mg(Sn)/m³ (skin)
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

Occupational chemical analysis use NIOSH of Tin, methyl-, tris(isooctyl thioglycollate)(57583-34-3) : Organotin Compounds 5504.

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.