Tin bis(2-ethylhexanoate)

Adsorption / desorption

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

adsorption / desorption: screening

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter

Reference 2

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Remarks:

estimated by calculation

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Read Across to an analogue based on structural similarity. An analogue justification is attached to section 13 of the dataset.

Reason / purpose for cross-reference:

read-across: supporting information

Qualifier:

no guideline required

Principles of method if other than guideline:

U.S. EPA KOCWIN v2.00

GLP compliance:

no

Type of method:

other: model calculation

Media:

soil

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material:
n-hexanoic acid (CASRN 142-62-1)
SMILES:O=C(O)CCCCC

Radiolabelling:

no

Test temperature:

not applicable

Details on study design: HPLC method:

not applicable

Analytical monitoring:

not required

Details on sampling:

not applcable

Details on matrix:

not applicable

Details on test conditions:

not applicable

Computational methods:

U.S. EPA KOCWIN software v2.00 (February 2009).

Type:

Koc

Value:

41.3 dimensionless

Temp.:

25 °C

Remarks on result:

other: Estimated Koc, based on correlation with measured log Kow

Type:

log Koc

Value:

1.61 dimensionless

Temp.:

25 °C

Remarks on result:

other: Estimated value, based on correlation with measured log Kow

Details on results (HPLC method):

not applicable

Adsorption and desorption constants:

not applicable

Recovery of test material:

not applicable

Concentration of test substance at end of adsorption equilibration period:

not applicable

Concentration of test substance at end of desorption equilibration period:

not applicable

Transformation products:

not measured

Details on results (Batch equilibrium method):

not applicable

Statistics:

not applicable

The log Koc of 1.61 and the Koc of 41.3 were calculated for the uncharged molecule.

Description of key information

Waived:  Measured of adsorption/desorption is not required where low potential for adsorption is indicated from low value of log Kow.  A predicted value of log Koc = 1.61 is used for the chemical safety assessment.

Key value for chemical safety assessment

Koc at 20 °C:

41.3

Additional information

In accordance with column 2 of REACH annex VIII, adsorption/desorption screening does not need to be conducted if, based on the low octanol water partition coefficient, the substance can be expected to have a low potential for adsorption. The 2-ethylhexanoate component of the tin bis(2 -ethylhexanoate) salt has log Kow = 2.64 for its un-ionized species occurring at pH < 2.8. The log D for species occurring at pH 7 is estimated to be approximately 0.6. The estimated organic carbon-normalized adsorption coefficient (log Koc) is 1.61 (Koc = 41.3).