Ethylene di(acetate)

Density

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

density, other

Remarks:

density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 June 2011

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7300 (Density / Relative Density / Bulk Density)

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Qualifier:

according to guideline

Guideline:

EU Method A.3 (Relative Density)

Principles of method if other than guideline:

ASTM D 4052-96 Method (Digital Density Meter)

GLP compliance:

no

Other quality assurance:

other: ISO 9001:2008

Type of method:

oscillating densitimeter

Type:

density

Density:

1.105 g/cm³

Temp.:

20 °C

Density of Reference substance Dodecane LGC Standards

Analysis N°	Density [g/cm^3]	Temperature (°C)
1	0.7488	20.00
2	0.7488	20.00
3	0.7488	20.00
Mean	0.7488

Density of Reference substance 2,4-Dichlorotoluene

Analysis N°	Density [g/cm^3]	Temperature (°C)
1	1.2493	20.00
2	1.2493	20.00
3	1.2493	20.00
Mean	1.2493

Density of EGDA at 20 °C

Analysis N°	Density [g/cm^3]	Temperature (°C)
1	1.1046	20.00
2	1.1046	20.00
3	1.1046	20.00
Mean	1.1046

Reference 2

Endpoint:

density

Remarks:

density

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

1. SOFTWARE
ARChem SPARC. version 4.5

2. MODEL
Properties - Density

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables".

5. APPLICABILITY DOMAIN
See information provided in "Any other information of materials and methods incl. tables".

6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section.

Qualifier:

according to guideline

Guideline:

other: REACH Guidance on QSARs R.6

Principles of method if other than guideline:

Calculation based on SPARC version v4.5, "Properties" calculation type

- Software tool(s) used including version: SPARC v4.5
- Model(s) used: Properties - Density (g/cm³)
The model utilizes a conventional LFER (Linear Free Energy Relationships), SAR (Structure Activity Relationships) and PMO (Perturbed Molecular Orbital) theory. For the complete method's description see field 'Any other information on materials and methods incl. tables'.
The datasets used for the external validation (1440 molecules) is described in the field 'Any other information on materials and methods incl. tables'. No clear information on the training set is given.
- Model description: see field 'Any other information on materials and methods incl. tables'.
- Justification of QSAR prediction: see field 'Justification for type of information' and 'overall remarks'.

GLP compliance:

no

Type of method:

other: QSAR

Type:

density

Density:

1.09 g/cm³

Temp.:

20 °C

Type:

relative density

Density:

1.09 other: dimensionless

Temp.:

20 °C

Remarks on result:

other: calculated using the density of water at 4 °C

For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 3

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

08 Jul 2011

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Certificate of Analysis

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

GLP compliance:

no

Type:

relative density

Density:

1.13

Temp.:

20 °C

Reference 4

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Data from handbook or collection of data.

Principles of method if other than guideline:

handbook data, no information is given on test method

GLP compliance:

not specified

Type of method:

other: not specified

Type:

relative density

Density:

1 104

Temp.:

20 °C

Assumed that test is conducted under ambient condition, decomposition/sublimation, as well as decomposition/sublimation temperature is not specified.

Reference 5

Endpoint:

density

Remarks:

density

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Principles of method if other than guideline:

handbook data, no information is given on test method

GLP compliance:

not specified

Type of method:

other: not specified

Type:

density

Density:

1 104 kg/m³

Temp.:

20 °C

Assumed that test is conducted under ambient condition, decomposition/sublimation, as well as decomposition/sublimation temperature is not specified.

Reference 6

Endpoint:

density

Remarks:

density

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Principles of method if other than guideline:

Database data, no information is given on test method

GLP compliance:

not specified

Type of method:

other: not specified

Type:

density

Density:

1 104.3 kg/m³

Temp.:

20 °C

Description of key information

density 1.1046 g/ cm³ at 20 °C (oscillation densitimeter, ASTM D4052 -96)

Key value for chemical safety assessment

Relative density at 20C:

1.1

Additional information

The values reported within other experiment (1.13), literature (1.10) and QSAR calculation (1.09 g/cm³), respectively, are supporting.