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Density

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Endpoint:
relative density
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.3 (Relative Density)
Version / remarks:
May 2008
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 109 (Density of Liquids and Solids)
Version / remarks:
October 2012
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
pycnometer method
Key result
Type:
relative density
Remarks on result:
other: Not available yet
Conclusions:
The density of the test item will be determined.
Executive summary:

A study will be conducted according to OECD TG 109, Regulation (EC) No 440/2008 method A.3 to determine the density of the test item.

Endpoint:
density, other
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Please refer to the QMRF and QPRF files provided under the section attached justification.
Qualifier:
according to
Guideline:
other: REACH guidance on QSARS R.6
Deviations:
no
Principles of method if other than guideline:
Estimation of density using T.E.S.T
GLP compliance:
no
Type of method:
other: calculation
Specific details on test material used for the study:
SMILES : O(CCO)CC=C
Key result
Type:
density
Density:
0.94 g/cm³
Remarks on result:
other: QSAR predicted value: The substance is within the applicability domain of the model.
Conclusions:
Using T.E.S.T. v4.2.1 the density of the test item was estimated to be 0.94 g/cm3. The substance is within the applicability domain of the model.
Executive summary:

The density was estimated using Toxicity Estimation Software Tool (T.E.S.T.) v4.2.1 from US Environmental Protection Agency. Using T.E.S.T. v4.2.1 the density of the test item was estimated to be 0.94 g/cm3. The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model is relevant for the regulatory purpose.

For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.

Description of the prediction Model

The prediction model was descripted using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file.

Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.

Description of key information

Using T.E.S.T. v4.2.1 the density of the test item was estimated to be 0.94 g/cm3. The substance is within the applicability domain of the model.

Key value for chemical safety assessment

Relative density at 20C:
0.94

Additional information

The density was estimated using Toxicity Estimation Software Tool (T.E.S.T.) v4.2.1 from US Environmental Protection Agency. Using T.E.S.T. v4.2.1 the density of the test item was estimated to be 0.94 g/cm3. The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model is relevant for the regulatory purpose.

 

For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.

 

Description of the prediction Model

The prediction model was descripted using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file.

Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.