2-(allyloxy)ethanol

Density

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020-04-06

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.3 (Relative Density)

Version / remarks:

May 2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Version / remarks:

October 2012

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

pycnometer method

Key result

Type:

relative density

Density:

0.955

Temp.:

20 °C

The pycnometer volume was determined using ultrapure water at 20 °C.

Measured data	Empty pycnometer, g	Pycnometer with water, g
1	31.68323	56.31501
2	31.68247	56.31450
3	31.68234	56.31408
4	31.68187	56.31461
5	31.68186	56.31477
Density of water at 20 °C, g/cm^3:	0.9983	-
Volume of pycnometer, cm^3:	24.6742	-

The density of 2-(allyloxy)ethanol was determined from five replicates at 20 °C with the above determined volume of the pycnometer (24.6742 cm^3). Empty pycnometer, g Pycnometer with test item, g Test item in the pycnometer, g Density of the test item, g/cm^3 31.69488 55.25032 23.55544 0.9547 31.69451 55.23880 23.54429 0.9542 31.69387 55.27014 23.57627 0.9555 31.69341 55.27307 23.57966 0.9556 31.69363 55.27411 23.58048 0.9557     Mean: 0.9551     Confidence int. (95 %): 0.00083     RSD (CV %): 0.070

Conclusions:

The relative density of the test item at 20 °C (compared to water at 4 °C) was determined to be 0.9551.

Executive summary:

A study was conducted according to Regulation (EU) No. 440/2008, Method A.3 and OECD Guideline No. 109 (2012) to determine the relative density of the test item. The density was determined by the pycnometer method.The weight of the test item is the difference between the weight of the empty and the levelled pycnometer. The exact volume of the pycnometer is known by measured ultrapure water according to the calibration procedure. The density was determined in five replicates.The relative density of the test item at 20 °C (compared to water at 4 °C) was determined to be 0.9551.

Reference 2

Endpoint:

density, other

Type of information:

(Q)SAR

Adequacy of study:

supporting 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

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

The relative density of the test item at 20 °C (compared to water at 4 °C) was determined to be 0.9551.

Key value for chemical safety assessment

Relative density at 20C:

0.955

Additional information

A study was conducted according to Regulation (EU) No. 440/2008, Method A.3 and OECD Guideline No. 109 (2012) to determine the relative density of the test item. The density was determined by the pycnometer method.The weight of the test item is the difference between the weight of the empty and the levelled pycnometer. The exact volume of the pycnometer is known by measured ultrapure water according to the calibration procedure. The density was determined in five replicates.The relative density of the test item at 20 °C (compared to water at 4 °C) was determined to be 0.9551.