Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) esters, zinc salts

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

Testing was conducted between 25 August 2010 and 16 October 2010.

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other:

Title:

Unnamed

Year:

2010

Materials and methods

Test guideline

Guideline:

other: the hydrolytic stability was estimated using the computer-based specialist estimation software, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency. No organo-zinc reference substances were found with known hydrolytic sta

GLP compliance:

not specified

Test material

Test material information

Constituent 1

Reference substance name:

Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) esters, zinc salts

EC Number:

288-917-4

EC Name:

Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) esters, zinc salts

Cas Number:

85940-28-9

Molecular formula:

C23.H50.O4.S4.P2.Zn

IUPAC Name:

Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) esters, zinc salts

Radiolabelling:

no

Study design

Analytical monitoring:

no

Details on sampling:

n/a

Buffers:

n/a

Estimation method (if used):

HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency.

Number of replicates:

n/a

Positive controls:

no

Negative controls:

no

Statistical methods:

n/a

Results and discussion

Preliminary study:

n/a

Test performance:

n/a

Transformation products:

not specified

Total recovery of test substance (in %)

Remarks on result:

other: No determination was possible according to Method C7 Degradation and Method OECD111, due to the following reason: The test item is a complex reaction mixture. The test is not appropriate for complex reaction mixtures.

Remarks:

No determination was possible according to Method C7 Degradation – Abiotic Degradation, Hydrolysis as a Function of pH of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 111 of the OECD Guidelines for Testing of Chemicals, due to the following reason: The test item is a complex reaction mixture. The test is not appropriate for complex reaction mixtures. Therefore, the hydrolytic stability was estimated using thecomputer-based specialist estimation software, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency. 

Dissipation DT50 of parent compound

Remarks on result:

other: No determination was possible according to Method C7 Degradation and Method OECD111, due to the following reason: The test item is a complex reaction mixture. The test is not appropriate for complex reaction mixtures.

Remarks:

No determination was possible according to Method C7 Degradation – Abiotic Degradation, Hydrolysis as a Function of pH of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 111 of the OECD Guidelines for Testing of Chemicals, due to the following reason: The test item is a complex reaction mixture. The test is not appropriate for complex reaction mixtures. Therefore, the hydrolytic stability was estimated using thecomputer-based specialist estimation software, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency. 

Other kinetic parameters:

n/a

Details on results:

Using the software, the hydrolytic stability has been estimated. The results are presented in attachment "Attachment 1".

Applicant's summary and conclusion

Validity criteria fulfilled:

not specified

Conclusions:

Using a computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency, the hydrolytic stability has been estimated. The results are presented in atachment "Attachment 1".

Executive summary:

Introduction

No determination was possible according to Method C7 Degradation – Abiotic Degradation, Hydrolysis as a Function of pH of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 111 of the OECD Guidelines for Testing of Chemicals, due to the following reason:

• The test item is a complex reaction mixture. The test is not appropriate for complex reaction mixtures.

Method

Therefore, the hydrolytic stability was estimated using thecomputer-based specialist estimation software, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency. 

The substance was modelled without the zinc atom as the per EPIsuite recommendations.

Results

Using the software, the hydrolytic stability has been estimated. The results are presented in attachment "Attachment 1".

Conclusion

Using a computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency, the hydrolytic stability has been estimated. The results are presented in attachment "Attachment 1".