3-{3-[(3,5,5-trimethylhexanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propoxy}-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate

Density

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

relative density

Remarks:

Other density types indicated (migrated information): density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 November 2015 to 29 January 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP guideline study.

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.3 (Relative Density)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

pycnometer method

Type:

density

Density:

952 kg/m³

Temp.:

20 °C

Key result

Type:

relative density

Density:

0.952

Temp.:

20 °C

Table 4 – Determination of density
Measurement	Determination
	1	2
Mass of pycnometer (g)	17.3531	17.3275
Mass of pycnometer and distilled water at 20 °C (g)	27.5629	27.5066
Mass of pycnometer and test item at 20 °C (g)	27.0682	27.0544
Density of water at 20 °C (kg/m3)	998.20	998.20
Density (kg/m3)	950	954
Mean density	952 kg/m3
Mean relative density	0.952
Temperature	20.0 ± 0.5 °C

Conclusions:

The density of the test item was determined to be 952 kg/m3 at 20.0 ± 0.5 °C with a relative density of 0.952.

Executive summary:

GUIDELINE

Relative density was determined using the pycnometer method and a procedure designed to be compatible with Method A.3 Relative Density of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 109 of the OECD Guidelines for Testing of Chemicals, 02 October 2012.

RESULTS

The density of the test item was determined to be 952 kg/m3 at 20.0 ± 0.5 °C with a relative density of 0.952.

Reference 2

Endpoint:

density

Remarks:

Density types indicated (migrated information): other: specific gravity; density

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

2012-12-01

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study was performed according to guideline

Qualifier:

according to guideline

Guideline:

other: ASTM D4052-11 Standard Test Method for Density, Relative Density, and API Gravity of Liquids by Digital Density Meter

Deviations:

no

GLP compliance:

no

Type of method:

oscillating densitimeter

Type:

other: specific gravity

Density:

0.905

Temp.:

15.6 °C

Type:

density

Density:

904 kg/m³

Temp.:

15.6 °C

Conclusions:

The specific gravity of the test substance is 0.9049 at 15.6 °C and 0.9014 at 20 °C (calculated);
Conversion to density (density of water at 15.6°C = 0.999012) = 904 kg/m3

Executive summary:

The specific gravity of the test substance, determined by procedures given in ASTM D4052, is 0.9049 at 15.6 deg. C

Density is 0.9014 at 20 °C calculated by using this equation: Density at 20 oC = Density at15.6 oC – (20-15.6) x 0.00079

Conversion to density (density of water at 15.6°C = 0.999012) = 904 kg/m3

Reference 3

Endpoint:

density

Remarks:

density

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Basic data given. Certificate of Analysis.

Qualifier:

according to guideline

Guideline:

other: FR020140

GLP compliance:

no

Type:

density

Density:

979 kg/m³

Temp.:

20 °C

Reference 4

Endpoint:

density

Remarks:

density

Type of information:

experimental study

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Basic data given. Certificate of Analysis.

Qualifier:

according to guideline

Guideline:

other: UIL 1018

Principles of method if other than guideline:

No more details available about method.

GLP compliance:

no

Type of method:

other: measured

Type:

density

Density:

940 kg/m³

Temp.:

20 °C

Reference 5

Endpoint:

density

Remarks:

density

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method SPARC online calculator.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on SPARC online calculator http://ibmlc2.chem.uga.edu/sparc/, University of Georgia, USA.

GLP compliance:

no

Remarks:

Calculation

Type of method:

other: estimated by calculation

Type:

density

Density:

980 - 1 060 kg/m³

Temp.:

20 °C

Reference 6

Endpoint:

density

Remarks:

Density types indicated (migrated information): other: specific gravity; density

Type of information:

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

Adequacy of study:

supporting study

Justification for type of information:

To register EC453-460-3 under REACH program, a read-across approach for fulfillment of the endpoints has been adopted. EC453-460-3 is an aliphatic ester and fits the description of polyol esters category in HPV program (High Production Volume, US-EPA). The distinguishing feature of polyol esters category is that the fatty acids were linked to one or more of the multiple hydroxyl groups present in the polyol (alcohol portion of ester). The focus of this correspondence is to support read across to EC613-848-7 (target) which provided key studies to determine hazard profile of EC453-460-3 (target), published information on other structurally analogous polyol esters were served as supporting evidence.

Reason / purpose for cross-reference:

read-across source

Type of method:

oscillating densitimeter

Type:

other: specific gravity

Density:

0.905

Temp.:

15.6 °C

Type:

density

Density:

904 kg/m³

Temp.:

15.6 °C

Conclusions:

The specific gravity of the test substance is 0.9049 at 15.6 °C and 0.9014 at 20 °C (calculated);
Conversion to density (density of water at 15.6°C = 0.999012) = 904 kg/m3

Executive summary:

The specific gravity of the test substance, determined by procedures given in ASTM D4052, is 0.9049 at 15.6 deg. C

Density is 0.9014 at 20 °C calculated by using this equation: Density at 20 oC = Density at15.6 oC – (20-15.6) x 0.00079

Conversion to density (density of water at 15.6°C = 0.999012) = 904 kg/m3

Reference 7

Endpoint:

density

Remarks:

density

Type of information:

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

Adequacy of study:

supporting study

Justification for type of information:

To register EC453-460-3 under REACH program, a read-across approach for fulfillment of the endpoints has been adopted. EC453-460-3 is an aliphatic ester and fits the description of polyol esters category in HPV program (High Production Volume, US-EPA). The distinguishing feature of polyol esters category is that the fatty acids were linked to one or more of the multiple hydroxyl groups present in the polyol (alcohol portion of ester). The focus of this correspondence is to support read across to EC613-848-7 (target) which provided key studies to determine hazard profile of EC453-460-3 (target), published information on other structurally analogous polyol esters were served as supporting evidence.

Reason / purpose for cross-reference:

read-across source

Type:

density

Density:

979 kg/m³

Temp.:

20 °C

Reference 8

Endpoint:

density

Remarks:

density

Type of information:

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

Adequacy of study:

supporting study

Justification for type of information:

To register EC453-460-3 under REACH program, a read-across approach for fulfillment of the endpoints has been adopted. EC453-460-3 is an aliphatic ester and fits the description of polyol esters category in HPV program (High Production Volume, US-EPA). The distinguishing feature of polyol esters category is that the fatty acids were linked to one or more of the multiple hydroxyl groups present in the polyol (alcohol portion of ester). The focus of this correspondence is to support read across to EC613-848-7 (target) which provided key studies to determine hazard profile of EC453-460-3 (target), published information on other structurally analogous polyol esters were served as supporting evidence.

Reason / purpose for cross-reference:

read-across source

Type:

density

Density:

940 kg/m³

Temp.:

20 °C

Reference 9

Endpoint:

density

Remarks:

density

Type of information:

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

Adequacy of study:

supporting study

Justification for type of information:

To register EC453-460-3 under REACH program, a read-across approach for fulfillment of the endpoints has been adopted. EC453-460-3 is an aliphatic ester and fits the description of polyol esters category in HPV program (High Production Volume, US-EPA). The distinguishing feature of polyol esters category is that the fatty acids were linked to one or more of the multiple hydroxyl groups present in the polyol (alcohol portion of ester). The focus of this correspondence is to support read across to EC613-848-7 (target) which provided key studies to determine hazard profile of EC453-460-3 (target), published information on other structurally analogous polyol esters were served as supporting evidence.

Reason / purpose for cross-reference:

read-across source

Type:

density

Density:

980 - 1 060 kg/m³

Temp.:

20 °C

Description of key information

The density of the test item was determined to be 952 kg/m3 at 20.0 ± 0.5 °C with a relative density of 0.952 (OECD 109 and EU Method A.3).

Key value for chemical safety assessment

Relative density at 20C:

0.952

Additional information

GUIDELINE

Relative density was determined using the pycnometer method and a procedure designed to be compatible with Method A.3 Relative Density of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 109 of the OECD Guidelines for Testing of Chemicals, 02 October 2012.

RESULTS

The density of the test item was determined to be 952 kg/m3 at 20.0 ± 0.5 °C with a relative density of 0.952.