Reaction products of neodecanoic acid and titanium (IV) isopropoxide

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption

Remarks:

other: (Q)SAR

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

An assessment of the adsorption coefficient of the test item was carried out on 08 February 2010.

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

other: As neither of the computer-based prediction methods contains titanium salts in their data sets, the reliability of the results is uncertain.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Materials and methods

Test guideline

Qualifier:

no guideline followed

Guideline:

other: computer-based prediction software, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency.

Deviations:

no

Principles of method if other than guideline:

The adsorption coefficient was estimated using computer-based prediction software, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency.

GLP compliance:

no

Type of method:

other: computer-based prediction software, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency.

Media:

other: Not applicable

Test material

Test material information

Constituent 1

Reference substance name:

E0286P/040A

IUPAC Name:

E0286P/040A

Constituent 2

Reference substance name:

Ti(C10H19O2)x(C3H3O)y; where 0 ≤ x ≤ 4, 0 ≤ y ≤ 4, x + y = 4

IUPAC Name:

Ti(C10H19O2)x(C3H3O)y; where 0 ≤ x ≤ 4, 0 ≤ y ≤ 4, x + y = 4

Details on test material:

Sponsor's identification: E0286P/040A
Description : amber coloured viscous liquid
Batch number : E0286P/040A/01
Date received : 20 July 2009
Storage conditions: room temperature in the dark

Study design

Test temperature:

Not applicable

HPLC method

Details on study design: HPLC method:

Not applicable

Batch equilibrium or other method

Analytical monitoring:

no

Details on sampling:

Not applicable

Details on matrix:

Not applicable

Details on test conditions:

Not applicable

Computational methods:

Not applicable

Results and discussion

Adsorption coefficient

Type:

log Koc

Value:

4.6 - 9.5

Remarks on result:

other: Using computer-based prediction software, the log adsorption coefficient of the test item was estimated to be in the range 4.6 to 9.5 (MCI Method) and in the range 0.9 to 8.1 (Log Kow method).

Results: HPLC method

Details on results (HPLC method):

Using computer-based prediction software, the log adsorption coefficient of the test item was estimated to be in the range 4.6 to 9.5 (MCI Method) and in the range 0.9 to 8.1 (Log Kow method).

Results: Batch equilibrium or other method

Transformation products:

not measured

Applicant's summary and conclusion

Validity criteria fulfilled:

no

Remarks:

As neither of the computer-based prediction methods contains titanium salts in their data sets, the reliability of the results is uncertain.

Conclusions:

Using computer-based prediction software, the log adsorption coefficient of the test item was estimated to be in the range 4.6 to 9.5 (MCI Method) and in the range 0.9 to 8.1 (Log Kow method).
Overall, it is anticipated that adsorption in the environment would be low, generally due to the low solubility of the test item in water (see Harlan Laboratories Ltd, Shardlow, Project Number 2184/0005). However, once the test item does become dissolved/ dispersed in water (e.g. by a water-miscible co-solvent), it is anticipated that the test item would then decompose rapidly, forming titanium dioxide, isopropanol and neodecanoic acid/neodecanoate. Assessment of the adsorption coefficient of any potential decomposition products is outside the scope of this report

Executive summary:

Using computer-based prediction software, the log adsorption coefficient of the test item was estimated to be in the range 4.6 to 9.5 (MCI Method) and in the range 0.9 to 8.1 (Log Kow method).

Overall, it is anticipated that adsorption in the environment would be low, generally due to the low solubility of the test item in water (see Harlan Laboratories Ltd, Shardlow, Project Number 2184/0005). However, once the test item does become dissolved/ dispersed in water (e.g. by a water-miscible co-solvent), it is anticipated that the test item would then decompose rapidly, forming titanium dioxide, isopropanol and neodecanoic acid/neodecanoate. Assessment of the adsorption coefficient of any potential decomposition products is outside the scope of this report.

As neither of the computer-based prediction methods contains titanium salts in their data sets, the reliability of the results is uncertain.