Butyltris[(2-ethyl-1-oxohexyl)oxy]stannane

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics in vitro / ex vivo

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07 February 2018 to 09 May 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Objective of study:

other: hydrolysis as a function of pH

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 111 (Hydrolysis as a Function of pH)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

other: EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)

Deviations:

no

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Butyltris[(2-ethyl-1-oxohexyl)oxy]stannane

EC Number:

245-912-1

EC Name:

Butyltris[(2-ethyl-1-oxohexyl)oxy]stannane

Cas Number:

23850-94-4

Molecular formula:

C28H54O6Sn

IUPAC Name:

butyltris[(2-ethyl-1-oxohexyl)oxy]stannane

Test material form:

liquid: viscous

Details on test material:

- Storage conditions: Ambient temperature, keep container tightly closed, dry
- Appearance: clear liquid

Radiolabelling:

not specified

Results and discussion

Any other information on results incl. tables

HYDROLYSIS AT PH 1.2 AND 4.0

- The samples did not show significant changes in the 119Sn-NMR Spectrum.

- The half-life time of the test material under the conditions of the study is > 1 year.

- The test material is considered as hydrolytically stable at pH 1.2 and 4.

HYDROLYSIS AT PH 7 AND 9

- The 119Sn-NMR spectrum of the organic extract shows a decrease of the products signal and an increase of the signal δ = -470 respectively δ=-485 which can be assigned to monobutyltin X bis (2-ethylhexanoate). X = Ligand out of buffer solution

Applicant's summary and conclusion

Conclusions:

The study shows that the test material is hydrolytically stable under simulated gastric conditions (0.1 M HCl /pH 1.2 /40°C/ 4 h at pH 1.2 and at pH 4. After 5 days of hydrolysis at 50°C and pH 4 less than 10% of the test material was hydrolysed (half life at 25°C > 1 year).
At pH 7 and 9 a signal at δ = -470 respectively δ=-485 appears in the NMR spectra, which can be assigned to monobutyltin X bis (2-ethylhexanoate) (X = Ligand out of buffer solution).

Executive summary:

The hydrolysis of the test material as a function of pH was investigated in accordance with the standardised guidelines OECD 111 and EU Method C.7.

The stability of the test material was investigated at pH 4, 7 and 9 and pH 1.2 using NMR spectroscopy.

The study shows that the test material is hydrolytically stable under simulated gastric conditions (0.1 M HCl /pH 1.2 /40°C/ 4 h at pH 1.2 and at pH 4. After 5 days of hydrolysis at 50°C and pH 4 less than 10% of the test material was hydrolysed (half life at 25°C > 1 year).

At pH 7 and 9 a signal at δ = -470 respectively δ=-485 appears in the NMR spectra, which can be assigned to monobutyltin X bis (2-ethylhexanoate) (X = Ligand out of buffer solution).