Reaction mass of Fatty acids, C18-unsaturated, dimers and trimers, esterified with 2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctan-1-ol

Surface tension

Administrative data

Endpoint:

surface tension

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 October 2016 to 11 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 October 2016 to 11 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

pour point

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark

Key result

Remarks on result:

other: Overall pour point result: -12 to -9 ± 3 °C (261 to 264 ± 3 K)

Preliminary Test:

The pour point of the preliminary test was -11 ± 3 °C (262 ± 3 K).

Main Test:

The results of the main test are shown in the following table:

	Determination 1	Determination 2
Stationary point (⁰C)	-15.0	-12.0
Pour Point (⁰C)	-12.0	-9.0
Overall pour point result: -12 to -9 ± 3 °C (261 to 264 ± 3 K)

Conclusions:

The pour point of the test item has been determined to be -12 to -9 ± 3 °C (261 to 264 ± 3 K).

Executive summary:

The melting/freezing temperature of the test substance was determined to be -12 to -9 ± 3 °C (261 to 264 ± 3 K) using pour point method designed to be compatible with Method A.1 Melting/Freezing Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 102 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Cross-reference 2

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 October 2016 to 11 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark

Key result

Atm. press.:

100.2 kPa

Decomposition:

yes

Decomp. temp.:

202 °C

Remarks on result:

other: Decomposition from approximately 202 °C (475 K)

Thermal Event	Interpretation	Temperature (⁰C)
Exotherm	onset of decomposition	Determination 1	Determination 2
		203.63	202.23

Atmospheric pressure: 102 kPa

After heating to 400 °C, the samples had lost approximately 26% and 27% of their original weight respectively.

Conclusions:

The test item has been determined to decompose from approximately 202 °C (475 K) at 102 kPa). As a result, no value for the boiling point of the test item could be determined.

Executive summary:

Decomposition from approximately 202 °C (475 K) at 102 kPa by differential scanning calorimetry, designed to be compatible with Method A.2 Boiling Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 103 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. As a result, no value for the boiling point of the test item could be determined.

Cross-reference 3

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reference

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 October 2016 to 11 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Qualifier:

according to guideline

Guideline:

EU Method A.3 (Relative Density)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

pycnometer method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark

Dynamic viscosity of test material:

Purified water with a resistivity of greater than 15MΩ.

Key result

Type:

relative density

Density:

0.893

Temp.:

20 °C

Measurement	Determination
	1	2
Mass of pycnometer (g)	17.3512	17.0608
Mass of pycnometer and purified water at 20.2 °C (g)	27.5639	27.2288
Mass of pycnometer and test item at 20.2 °C (g)	26.4855	26.1613
Density of water at 20.2 °C (kg/m3)	998.20
Density (kg/m3)	893	893
Mean density : 893 kg/m^3 Mean relative density : 0.893 Temperature : 20.0 ± 0.5 °C

Conclusions:

The density of the test item has been determined to be 893 kg/m3 at 20.0 ± 2.0 °C and a relative density of 0.893.

Executive summary:

The test substance density was determined to be 893 kg/m³ at 20.0 ± 2.0 °C, relative density of 0.893, by gas comparison pycnometer, 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.

Cross-reference 4

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 October 2016 to 11 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark

Key result

Water solubility:

< 0.001 other: gTOC/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.1 g/L

Incubation duration:

24 h

Temp.:

20 °C

pH:

5.8

Details on results:

The preliminary estimates of water solubility at 20.0 ± 0.5 °C are shown in the following information:

Loading Rate (g/L) / Concentration (gTOC/L) / pH
0.1 / <1.0E-3 / 6.3
1 / 2.1E-3 / 6.3

Definitive Test: The results for the total organic carbon analysis are shown in the following table:
Solution / TOC (mgTOC/L):
Matrix blank A= 0.395
Matrix blank B= 0.340
Sample 1A= 0.573
Sample 1B= 0.676
Sample 2A= 0.582
Sample 2B= 0.584
Sample 3A= 0.981
Sample 3B= 0.949

Definitive Test

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample Number	Concentration (gTOC/L)	Solution pH
1	< 1.0 E-3	5.8
2	< 1.0 E-3	5.8
3	< 1.0 E-3	5.8

Overall result: less than 1.0 x 10-3 gTOC/L at 20.0 ± 0.5 ºC

Conclusions:

The water solubility of the test item has been determined at 20.0 ± 0.5 °C and a nominal loading rate of 0.1 g/L to be less than 1.0 x 10-3 gTOC/L.

Executive summary:

Water Solubility was determined to be less than 1.0 x 10-3 gTOC/L at 20.0 ± 0.5 °C from a nominal loading rate of 0.1 g/L using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Cross-reference 5

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 October 2016 to 11 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Reason / purpose for cross-reference:

other: Study report pertains to multiple endpoints.

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

> 10 000 000 000

Remarks on result:

other: The partition coefficient of the test item has been determined to be greater than 1.0E10, log10 Pow >10.0.

Details on results:

Preliminary Estimate: The estimated log10 Pow for the representative structure of the test item was calculated to be from 31.1

Definitive Test: The partition coefficient of the test item has been determined to be >1.0 x 10^10 with a log10 Pow of >10.0.

Conclusions:

The partition coefficient of the test item has been determined to be >1.0 E10 with a log10 Pow of >10.0.

Executive summary:

The partition coefficient (n-octanol/water) was determined to be greater than 1.0 x 10^10, log10 Pow of >10.0, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.5 (Surface Tension)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 115 (Surface Tension of Aqueous Solutions)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

ring method

Test material

Test material information

Constituent 1

Reference substance name:

Fatty acids, C16-18-UNSATD., trimers, tris(16-Methylheptadecyl) esters

EC Number:

600-407-9

Cas Number:

103213-22-5

IUPAC Name:

Fatty acids, C16-18-UNSATD., trimers, tris(16-Methylheptadecyl) esters

Test material form:

liquid

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark

Results and discussion

Surface tension

Surface tension 1

Key result

Surface tension:

72 mN/m

Temp.:

21.6 °C

Conc.:

0.001 other: g/mL

Remarks on result:

other: sample 2

Surface tension 2

Key result

Surface tension:

72.3 mN/m

Temp.:

21.6 °C

Conc.:

0.001 other: g/mL

Remarks on result:

other: sample 3

Any other information on results incl. tables

SAMPLE 1:

Age of Solution (min) / Reading (mN/m) / Temperature (deg C)

79 / 37.0 / 21.8

90 / 67.0 / 21.8

103 / 67.0 / 21.8

114 / 67.0 / 21.8

123 / 67.0 / 21.8

SAMPLE 2:

Age of Solution (min) / Reading (mN/m) / Temperature (deg C)

1098 / 70.0 / 21.8

1110 / 71.0 / 21.8

1124 / 71.5 / 21.6

1142 / 72.0 / 21.6

1166 / 72.0 / 21.6

1178 / 72.0 / 21.4

1196 / 72.0 / 21.4

1207 / 72.0 / 21.4

SAMPLE 3:

Age of Solution (min) / Reading (mN/m) / Temperature (deg C)

72 / 72.5 / 21.6

87 / 72.0 / 21.6

99 / 72.0 / 21.6

111 / 72.5 / 21.8

123 / 72.5 / 21.8

Mean Sample 1 result : 67.0 mN/m

pH of Sample 1 : 5.5

Mean Sample 2 result* : 72.0 mN/m

pH of Sample 2 : 6.2

Mean Sample 3 result : 72.3 mN/m

pH of Sample 2 : 5.9 Mean result (Samples 2 and 3): 72.2 mN/m

Overall temperature : 21.6 ± 0.5 ºC

Applicant's summary and conclusion

Conclusions:

The surface tension of duplicate solutions prepared at a nominally 90 % saturated solutions of test item in water has been determined to be 72.2 mN/m at 21.6 ± 0.5 °C. The test item was considered not to be surface-active.

Executive summary:

The surface tension was determined to be 72.2 mN/m (90% saturated solution) at 21.6 ± 0.5 °C using a ring method, designed to be compatible with Method A5 Surface Tension of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 115 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The test item was considered not to be surface-active.