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Diss Factsheets

Physical & Chemical properties

Boiling point

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Reference
Endpoint:
boiling point
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 of method:
differential scanning calorimetry
Boiling pt.:
> 260 °C
Atm. press.:
1 013 hPa
Decomposition:
yes
Decomp. temp.:
260 °C

The boiling point of the test item was investigated in a study conducted according to OECD Guideline 103 and EU-Method A.2. (differential scanning calorimetry). Due to the course of the second endothermic effect and the observations during the determination of the thermal stability (see chapter 4.19) it was concluded that the test item has no boiling point at atmospheric pressure and the test substance decomposes prior to boiling. To verify these results an additional experiment (capillary method; one measurement) was conducted.

The following observations were made by the capillary method:

Endothermic effect

Set Point (°C)

Heating rate (K/min)

Endpoint (°C)

Boiling Point

Remarks

first

35

10

250

-

42°C: sintering of the test item

46°C: test item became transparent

65°C: liquefaction started

100°C: viscous

150°C: formation of small bubbles

second

250

5

350

-

260°C: test item became light brown

275°C: test item became dark brown

285°C: slow bubble formation

300°C: test item completely black, continuous bubbling observed

312°C: test item black, rapid continuous bubbling observed

Based on these observations it can be concluded that the test item decomposes at temperatures >=260°C and therefore a boiling point can not be determined at atmospheric pressure.

Conclusions:
The boiling point of the analogue source test substance was investigated in a study conducted according to OECD Guideline 103 and EU-Method A.2. (differential scanning calorimetry) and in addition via the capillary method. Based on the results obtained it can be concluded that the test item decomposes at temperatures >=260°C and therefore a boiling point can not be determined at atmospheric pressure.
Executive summary:

The boiling point of the of the analogue source test substance was investigated in a study conducted according to OECD Guideline 103 and EU-Method A.2. (differential scanning calorimetry) and in addition via the capillary method. Based on the results obtained it can be concluded that the test item decomposes at temperatures >=260°C and therefore a boiling point can not be determined at atmospheric pressure.

It can be expected that the study results are also applicable to the target substance Fatty acids, C18 unsatd., reaction products with triethanolamine, di-Me sulfate-quaternized.

Description of key information

Decomposition at 260°C and above.

Key value for chemical safety assessment

Temperature of decomposition (state purity):
260 °C

Additional information

No experimental data are available for the target substance oleic acid-based TEA-Esterquat. However, the boiling point was determined for the source substance partially unsaturated TEA-Esterquat. A justification for read-across is attached to Iuclid section 13.


The boiling point of the test item was investigated in a study conducted according to OECD Guideline 103 and EU-Method A.2. (differential scanning calorimetry) and in addition via the capillary method. Based on the results obtained it can be concluded that the test item decomposes at temperatures >=260°C and therefore a boiling point can not be determined at atmospheric pressure.