Fatty acids, C16-18, reaction products with triethanolamine, di-Me sulfate-quaternized

Density

Link to relevant study record(s)

Reference

Endpoint:

relative density

Type of information:

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

Adequacy of study:

key study

Justification for type of information:

REPORTING FORMAT FOR THE ANALOGUE APPROACH

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar (eco)toxicological properties because
• they share structural similarities with common functional groups: One quaternised ethanolamine moiety, one to three, mainly two ester groups with a typical UVCB distribution with long-chain fatty acids of natural origin. The molecular structure is almost identical.
• they are manufactured from similar resp. identical precursors (triethanolamine, long-chain fatty acids, dimethyl sulphate) under similar conditions. Therefore, common breakdown products via physical and biological processes, which result in structurally similar chemicals are evident
• A constant pattern in the changing of the potency of the properties across the TEA-Esterquats by chain-length and the grade of esterification is not observed, because the fatty acid chain-length distribution is too narrow and similar and the distribution of mono-, di-, and tri-esters is identical. Some variation caused by variation in C=C double bonds may occur and will be discussed at the relevant endpoint.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See justification for read-across attached to chapter 13 of this IUCLID file.

3. ANALOGUE APPROACH JUSTIFICATION
See justification for read-across attached to chapter 13 of this IUCLID file.

4. DATA MATRIX
See justification for read-across attached to chapter 13 of this IUCLID file.

Reason / purpose for cross-reference:

read-across: supporting information

Reason / purpose for cross-reference:

read-across source

Type:

relative density

Density:

1.06

Temp.:

20 °C

Type:

density

Density:

1.06 g/cm³

Temp.:

20 °C

Density and relative density: experimental results (2 fillings; 4 measurements each)

Test item at 20°C Net weight (g)	Difference way of cylinder compression (mm)	Volume calculated (mL)	Density g/mL                      g/mL (mean)
70.105	47.70 47.80 47.90 47.90	66.054 66.196 66.338 66.338	1.061 1.059 1.057 1.057	1.059
70.098	47.80 47.90 47.70 47.90	66.196 66.338 66.054 66.338	1.059 1.057 1.061 1.057	1.059
Mean Standard Deviation % Standard Deviation				1.059 0.002 0.2

The density of partially unsaturated TEA-Esterquat was determined to be 1.059 g/cm³ at 20°C.

The relative density (20/4) was determined to be 1.059 using a density of water at 4°C (0.999972 g/cm³).

Conclusions:

The density and the relative density were determined using OECD Guideline 109 and EU-Method A.3 (air comparison pycnometer method).
The density of the analogue source test substance "partially unsaturated TEA-Esterquat" was determined to be 1.059 g/cm³ at 20°C and the relative density (20/4) was determined to be 1.059 using a density of water at 4°C (0.999972 g/cm³).

Executive summary:

The density and the relative density were determined using OECD Guideline 109 and EU-Method A.3 (air comparison pycnometer method). The density of of the analogue source test substance "partially unsaturated TEA-Esterquat" was determined to be 1.059 g/cm³ at 20°C and the relative density (20/4) was determined to be 1.059 using a density of water at 4°C (0.999972 g/cm³).

It can be expected that the study results are also applicable to the target substance fully saturated TEA-Esterquat.

Description of key information

Density = 1.059 g/cm³ at 20°C.

Key value for chemical safety assessment

Relative density at 20C:

1.059

Additional information

No experimental data are available for the target substance fully saturated TEA-Esterquat. However, the density was determined for the source substance partially unsaturated TEA-Esterquat. A justification for read-across is attached to Iuclid section 13.

The density and the relative density were determined using OECD Guideline 109 and EU-Method A.3 (air comparison pycnometer method).The density of partially unsaturated TEA-Esterquat was determined to be 1.059 g/cm³ at 20°C and the relative density (20/4) was determined to be 1.059 using a density of water at 4°C (0.999972 g/cm³).