Buthyltin Mercaptide

• CAS: 10584-98-2
• Catalog Number: ACM10584982
• Category: Main Products
• Molecular Weight: 639.56
• Molecular Formula: C28H56O4S2SN
• Synonyms: 2-ethylhexyl 2-[dibutyl-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
• Flash Point: 140 °C
• Appearance: Pale yellow liquid

Case Study

Study on Simulated Gastric Hydrolysis and Developmental Toxicity of Butyltin Mercaptide

Costlow R D, et al. Journal of Applied Toxicology, 2021, 41(11), 1794-1802.

Chemical and toxicological data on dioctyltin bis(2-ethylhexyl thioglycolate) indicate that alkyltin thioglycolate esters do not produce dichloride toxophore. This work demonstrates the hydrolysis of dibutyltin bis(2-ethylhexyl thioglycolate) (DBTE, Buthyltin Mercaptide) to dibutyltin chloro-(2-ethylhexyl thioglycolate) (DBTEC) under simulated gastric conditions. The developmental toxicity studies with DBTE reported here support the conclusion that DBTE is not teratogenic nor is it a developmental toxicant in rats.
Hydrolysis in simulated gastric milieu
· The results obtained from the experimental gastric simulation system showed that DBTE equilibrated under the study conditions of pH 1.2 at 37 C for 4 h with its mono-chloro-ester (dibutyltin chloro- [2-ethylhexyl thioglycolate], DBTEC).
· Under the simulated gastric conditions, MBTE was partially hydrolyzed, in a like manner, to DBTE and formed the monobutyltin-chloro-bis(2-ethylhexyl thioglycolate) (MBTEC).
· No DBTC was detected under the simulated gastric conditions of this study.
· It is concluded that DBTEC is the only tin-containing metabolite of DBTE that was formed under aqueous conditions, which simulated the mammalian gastric environment. No DBTC was detected under the conditions of the study.

Modification of multicomponent polymer blends with butyltin mercaptide

Vivier, T., and M. Xanthos. Journal of applied polymer science 54.5 (1994): 569-575.

A blend of seven immiscible plastics, namely low-density and high-density polyethylene (LDPE and HDPE), polypropylene (PP), polyvinyl chloride (PVC), crystalline and high-impact polystyrene (PS and HIPS), and polyethylene terephthalate (PET), in proportions representative of those currently found in post-consumer plastic containers, was compounded in a co-rotating twin-screw extruder. The mechanical properties of the blends were improved by the addition of relatively high concentrations of dialkyl peroxide, which was also found to significantly affect the blend morphology. PVC was modified with butyltin mercaptide. The results are interpreted as improved dispersive mixing, which favors similarity in the rheological behavior of the modified blend components, improved physical properties of some blend components after modification, and possible enhanced interfacial adhesion.
PVC resins were preferred over PVC compounds to limit interfering reactions of potentially reactive additives. The only additional PVC additive used was the heat stabilizer butyltin mercaptan. The peroxide chosen was a solid version of 2,5-dimethyl-2,5-di(tert-butylperoxy)hexane, as well as its ability to generate enough reactive free radicals to complete the process within the short residence time allowed by the extruder. Half-lives ranged from 68 sec/ton at 180°C to just 2.4 sec/ton at 220°C.

Custom Q&A

What is the molecular formula of 2-Ethylhexyl 4,4-dibutyl-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate?

The molecular formula is C28H56O4S2Sn.

When was the compound created and last modified?

The compound was created on 2006-10-24 and last modified on 2023-12-30.

What is the IUPAC Name of the compound?

The IUPAC Name is 2-ethylhexyl 2-[dibutyl-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC.

How many Hydrogen Bond Acceptor Counts does the compound have?

The compound has 6 Hydrogen Bond Acceptor Counts.

What is the exact mass of the compound?

The exact mass is 640.264205 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 103 2.

How many Heavy Atom Counts does the compound have?

The compound has 35 Heavy Atom Counts.

How many Rotatable Bond Counts does the compound have?

The compound has 26 Rotatable Bond Counts.

How many Undefined Atom Stereocenter Counts does the compound have?

The compound has 2 Undefined Atom Stereocenter Counts.