Reaction product of mixed triesters of heptanoic acid (n-C7), nonanoic acid (n-C9) and trimethylolpropane (i-C7)

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

17 to 25 April 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

not specified

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

< 0.1 mg/L

Temp.:

20.5 °C

pH:

7.1

Details on results:

Test substance was stirred with double distilled water for 7 days at 20.5 ± 0.5°C (nominal concentration was 2.0 mg/l). The concentration of Hatcol 2352, based on peak 1 as well as peak 2, in the supernatant after two and three successive times of centrifugation (3500 g, 5 min. and 20°C) was < 0.1 mg/I. The second extract did not contain any test substance.
The measured pH was after three successive times of centrifugation 7.1.
Based on visual inspection, a super saturation was still observed. Since the analysed concentration was lower than the lowest concentration that can be determined with the developed method (Notox project 371993), the water solubility is reported as < 0.10 mg/l.

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The water solubility of Hatcol 2352 at 20.5 ± 0.5°C is < 1.0 x 10E-4 g/l.

Executive summary:

The flask method was used to determine the water solubility of Hatcol 2352 and was based on the following guidelines:

OECD guideline for testing of chemicals no. 105: "Water Solubility", Adopted July 27, 1995.

EEC Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.6: "Water solubility". EEC Publication no. L383, December 1992.

The water solubility of Hatcol 2352 at 20.5 ± 0.5°C is < 1.0 x 10^-4g/l, the pH was 7.1

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

26 February 2003 to 06 March 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

not specified

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

< 0.2 mg/L

Temp.:

20 °C

pH:

7

Details on results:

Pre liminarv test
Test substance was stirred with double distilled water for 7 days at 20.3 ± 0.8°C (nominal concentration was 3.16 mg/I). The concentration of Hatcol 3331, based on peak 1 as well as peak 2 and peak 3, in the supernatant after three and four successive times of centrifugation (3500 g, 5 min. and 20°C) was << 0.20 mg/1. In all samples, either no peak or a peak close to the noise level was observed. The second extract did not contain any test substance based on peaks 1 and 2 and contained less than 2% of the lowest calibration standard (Le. 0.20 mg/I) based on peak 3.
The measured pH after four successive times of centrifugation was 7.0.
Based on visual inspection, a super saturation was still observed. Since the analysed concentration was lower than the lowest concentration that can be determined with the developed method (Notox project 364938), the water solubility is reported as < 0.20 mg/l.

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of Hatcol 3331 at 20.3 ± 0.8°C is < 2.0 x 10E-4 g/l.

Executive summary:

The flask method was used to determine the water solubility of Hatcol 3331 and was based on the following guidelines:

OECD guideline for testing of chemicals no. 105: "Water Solubility", Adopted July 27, 1995. EEC Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.6: "Water solubility". EEC Publication no. L383, December 1992.

The water solubility of Hatcol 3331 at 20.3 ± 0.8°C is < 2.0x10^-4g/l, the pH was 7.0.

Reference 3

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13 January to 07 February 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

not specified

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

< 0.2 mg/L

Temp.:

20 °C

pH:

7.4

Details on results:

Preliminary test
Test substance was stirred with double distilled water for 7 days at 20.0 ± 0.8°C (nominal concentration was 2.04 mg/l). The concentration of Hatcol 3344 in the supernatant, based on peak 1, was 0.172 and 0.144 mg/l after three and four successive times of centrifugation (3500g 5 min. and 20°C) respectively. The concentration of Hatcol 3344 in the supernatant, based on peak 2, was 0.0413 and 0.0403 mg/l after three and four successive times of centrifugation (3500g 5 min. and 20°C) respectively. Based on these results it was clear that test substance concentration was still decreasing with an increasing number of centrifugation steps. This effect was also observed during NOTOX project 365041.
During method validation (see NOTOX project 364951), a limit of quantification of 0.0998 mg/l was determined. Unfortunately, during this study the lowest calibration point above the limit of quantification that could be obtained was a concentration of 0.20 mg/l.
Based on the results and the calibration obtained. it was decided to report the water solubility of Hatcol 3344 as < 0.20 mg/l based on peak 1 and 2.
The measured pH was after four successive times of centrifugation 7.4. Based on visual
inspection. a super saturation was still observed.

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Based on the results and the calibration obtained. it was decided to report the water solubility of Hatcol 3344 as < 0.20 mg/l

Executive summary:

The flask method was used to determine the water solubility of Hatcol 3344 and was based on the following guidelines: OECD guideline for testing of chemicals no. 105: “Water Solubility” Adopted July 27. 1995. EEC Directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.6: "Water solubility". EEC Publication no. L383, December 1992.

The water solubility of Hatcol 3344 at 20.0 ± 0.8°C is < 2.0x10^-4g/, the pH was 7.4.

Reference 4

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13 January 2003 to 08 February 2003

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

not specified

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

< 0.2 mg/L

Temp.:

20 °C

pH:

7.5 - 8.2

Details on results:

Preliminary test 1: Test substance was stirred with double distilled water for 15 days at 20.4 ± 1.0°C (nominal concentration was 20.4 g/I). The concentration of Hatcol 5236, based on peak 1, in the supernatant after three and four successive times of centrifugation (25658 g, 10 min. and 20°C) was 0.99 mg/l, and 0.89 mg/l, respectively. The second extract contained after three and four successive times still 0.91 mg/l and 1.4 mg/l. The concentration of Hatcol 5236, based on peak 2, in the supernatant after three and four successive times of centrifugation (25658 g, 10 min. and 20°C) was 0.19 mg/l, and 0.25 mg/l, respectively. The second extract contained after three and four successive times still 0.33 mg/l and 1.1 mg/l. The measured pH was after three and four successive times of centrifugation 8.2 and 8.1, respectively.
Based on the results of peaks 1 and 2, a stable test substance concentration after successive centrifugations could not be achieved. Moreover, the second extracts contain an excessive amount of test substance. Due to these results and problems encountered during centrifugation of the samples (probably due to an excessive super saturation), the preliminary test was repeated with a lower nominal concentration.

Preliminary test 2: Test substance was stirred with double distilled water for 1 day at 20.0 ± 7°C (nominal concentration was 9.6 mg/l). The concentration of Hatcol 5236, based on peak 1, in the supernatant after two and three successive times of centrifugation (3500 g, 5 min. and 20°C) was 0.276 mg/l, and 0.203 mg/l, respectively. The second extract contained after two and three successive times still 0.0549 mg/l and 0.0619 mg/l. The concentration of Hatcol 5236, based on peak 2, in the supernatant after two and three successive times of centrifugation (3500 g, 5 min. and 20°C) was 0.0593 mg/l, and < 0.2 mg/, respectively. The second extract did not contain any test substance. The measured pH was after three and four successive times of centrifugation 8.1 and 8.0,
respectively.
The determined results are much lower than during the first preliminary test. Unfortunately, a decreasing test substance concentration with an increasing number of centrifugations is still observed. Based on these results, it is expected that an excessive super saturation is still causing problems. Therefore it was decided to perform a third preliminary test, at a test substance concentration only slightly higher than 1 mg/l (i.e. approximately the lowest concentration at which a positive visual confirmation of undissolved test substance can be made).

Preliminary test 3: Test substance was stirred with double distilled water for 7 days at 20.0 ± 0.8°C (nominal concentration was 1.52 mg/l). The concentration of Hatcol 5236, based on peak 1 as well as peak 2, in the supernatant after three and four successive times of centrifugation (3500 g, 5 min. and 20°C) was < 0.2 mg/l (i.e. the limit of quantification of the analytical method). The second extract did not contain any test substance. The measured pH was after four successive times of centrifugation 7.5.
Based on visual inspection, a super saturation was still observed. Since the analysed concentration was lower than the lowest concentration that can be determined with the developed method (Notox project 364949), the water solubility is reported as < 0.2 mg/l.

No test substance was measured in the pre-treated samples from the blank water mixture.

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubility of Hatcol 5236 at 20.0 ± 0.8°C is < 2.0x10e-4 g/l.

Executive summary:

The flask method was used to determine the water solubility of Hatcol 5236 and was based onthe following guidelines:OECD guideline fortesting of chemicals no. 105: "Water Solubility., Adopted July 27, 1995. EEC Directive 92/69 EEC, Part A, Methods for the determination of physico-chemicalproperties, A.6: "Water solubility. EEC Publication no. L383, December 1992.

The water solubility of Hatcol 5236 at 20.0 ± 0.8°C is < 2.0x10^-4g/l, the pH was 7.5.

Reference 5

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

February 2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: non-GLP structural evaluation of the substance using EPISuite 4.11 calculation

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

no guideline followed

Principles of method if other than guideline:

The Water Solubility Program (WATERNT) estimates the water solubility of organic compounds at 25oC. The WATERNT program and estimation methodology were developed at Syracuse Research Corporation for the US Environmental Protection Agency. The estimation methodology is based upon a "fragment constant" method very similar to the method of the KOWWIN Program which estimates octanol-water partition coefficients.WATERNT automatically retrieves experimental water solubility values from a database containing more than 6200 organic compounds with measured values. When a SMILES structure matches a database structure (via an exact atom-to-atom connection match), the experimental water solubility value is retrieved and shown in the Results Window.

GLP compliance:

no

Type of method:

other: QSAR

Key result

Water solubility:

0 mg/L

Temp.:

25 °C

Remarks on result:

other: trimethylolpropane tri-ester with 2xC7 acids, 1xC8 acids; MW 484; pH not considered in calculation

Key result

Water solubility:

0 mg/L

Temp.:

25 °C

Remarks on result:

other: trimethylolpropane tri-ester with 1xC7 acids, 2xC8 acids; MW 498; pH not considered in calculation

Key result

Water solubility:

0 mg/L

Temp.:

25 °C

Remarks on result:

other: trimethylolpropane tri-ester with 2xC7 acids, 1xC10 acids or 3xC7 acids; MW 512; pH not considered in calculation

Key result

Water solubility:

0 mg/L

Temp.:

25 °C

Remarks on result:

other: trimethylolpropane tri-ester with 1xC7 acids, 1xC8 acids and 1xC10 acids; MW 526; pH not considered in calculation

Key result

Water solubility:

0 mg/L

Temp.:

25 °C

Remarks on result:

other: trimethylolpropane tri-ester with 2xC7 acids, 1xC10 acids; MW 540; pH not considered in calculation

Details on results:

the water solubility was calculated for the most relevant constituents of this UVCB with area % > 10% in the GC-FID chromatogram (see also sections 1.2 and 8)

1. log Pow calculation for component MW 484, present for ca 12.4% (w/w) in Hatcol 1510:

SMILES : CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCC

CHEM  : TMP tri-ester, 2xC7 acids, 1xC8 acids

MOL FOR: C28 H52 O6

MOL WT : 484.72

-------+-----+--------------------------------------------+----------+---------

 TYPE | NUM |   WATER SOLUBILITY FRAGMENT DESCRIPTION  | COEFF  | VALUE 

-------+-----+--------------------------------------------+----------+---------

 Frag | 4 | -CH3   [aliphatic carbon]               |-0.3213  | -1.2851

 Frag | 20 | -CH2-  [aliphatic carbon]               |-0.5370  |-10.7404

 Frag | 3 | -C(=O)O [ester, aliphatic attach]       | 0.5757  | 1.7272

 Frag | 1 | -tert Carbon [3 or more carbon attach]  |-0.5774  | -0.5774

 Const |    | Equation Constant                        |         | 0.2492

-------+-----+--------------------------------------------+----------+---------

                             Log Water Sol (moles/L) at 25 dec C = -10.6264

                             Water Solubility (mg/L) at 25 dec C =1.1459e-005

2. log Pow calculation for component MW 498, present for ca 14.9% (w/w) in Hatcol 1510:

SMILES : CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCC

CHEM  : TMP tri-ester, 1xC7 acids, 2xC8 acids

MOL FOR: C29 H54 O6

MOL WT : 498.75

-------+-----+--------------------------------------------+----------+---------

 TYPE | NUM |   WATER SOLUBILITY FRAGMENT DESCRIPTION  | COEFF  | VALUE 

-------+-----+--------------------------------------------+----------+---------

 Frag | 4 | -CH3   [aliphatic carbon]               |-0.3213  | -1.2851

 Frag | 21 | -CH2-  [aliphatic carbon]               |-0.5370  |-11.2774

 Frag | 3 | -C(=O)O [ester, aliphatic attach]       | 0.5757  | 1.7272

 Frag | 1 | -tert Carbon [3 or more carbon attach]  |-0.5774  | -0.5774

 Const |    | Equation Constant                        |         | 0.2492

-------+-----+--------------------------------------------+----------+---------

                             Log Water Sol (moles/L) at 25 dec C = -11.1634

                             Water Solubility (mg/L) at 25 dec C =3.4238e-006

3. log Pow calculation for component MW 512, present for ca 15% (w/w) in Hatcol 1510:

SMILES : CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

CHEM  : C7 -tri-ester

SMILES : CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCC

CHEM  : TMP tri-ester, 2xC7 acids, 1xC10 acids

MOL FOR: C30 H56 O6

MOL WT : 512.78

-------+-----+--------------------------------------------+----------+---------

 TYPE | NUM |   WATER SOLUBILITY FRAGMENT DESCRIPTION  | COEFF  | VALUE 

-------+-----+--------------------------------------------+----------+---------

 Frag | 4 | -CH3   [aliphatic carbon]               |-0.3213  | -1.2851

 Frag | 22 | -CH2-  [aliphatic carbon]               |-0.5370  |-11.8144

 Frag | 3 | -C(=O)O [ester, aliphatic attach]       | 0.5757  | 1.7272

 Frag | 1 | -tert Carbon [3 or more carbon attach]  |-0.5774  | -0.5774

 Const |    | Equation Constant                        |         | 0.2492

-------+-----+--------------------------------------------+----------+---------

                             Log Water Sol (moles/L) at 25 dec C = -11.7004

                             Water Solubility (mg/L) at 25 dec C =1.0222e-006

4. log Pow calculation for component MW 526, present for ca 20.4% (w/w) in Hatcol 1510:

SMILES : CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCC

CHEM  : TMP tri-ester, 1xC7 acids, 1xC8 acids, 1xC10 acids

MOL FOR: C31 H58 O6

MOL WT : 526.80

-------+-----+--------------------------------------------+----------+---------

 TYPE | NUM |   WATER SOLUBILITY FRAGMENT DESCRIPTION  | COEFF  | VALUE 

-------+-----+--------------------------------------------+----------+---------

 Frag | 4 | -CH3   [aliphatic carbon]               |-0.3213  | -1.2851

 Frag | 23 | -CH2-  [aliphatic carbon]               |-0.5370  |-12.3514

 Frag | 3 | -C(=O)O [ester, aliphatic attach]       | 0.5757  | 1.7272

 Frag | 1 | -tert Carbon [3 or more carbon attach]  |-0.5774  | -0.5774

 Const |    | Equation Constant                        |         | 0.2492

-------+-----+--------------------------------------------+----------+---------

 NOTE |    | Minimum Solubility (log S = -12.00) Applied!        |

-------+-----+--------------------------------------------+----------+---------

                             Log Water Sol (moles/L) at 25 dec C = -12.0000

                             Water Solubility (mg/L) at 25 dec C =5.268e-007

5. log Pow calculation for component MW 540, present for ca 12.9% (w/w) in Hatcol 1510:

SMILES : CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCC

CHEM  : TMP tri-ester, 2xC8 acids, 1xC10 acids

MOL FOR: C32 H60 O6

MOL WT : 540.83

-------+-----+--------------------------------------------+----------+---------

 TYPE | NUM |   WATER SOLUBILITY FRAGMENT DESCRIPTION  | COEFF  | VALUE 

-------+-----+--------------------------------------------+----------+---------

 Frag | 4 | -CH3   [aliphatic carbon]               |-0.3213  | -1.2851

 Frag | 24 | -CH2-  [aliphatic carbon]               |-0.5370  |-12.8885

 Frag | 3 | -C(=O)O [ester, aliphatic attach]       | 0.5757  | 1.7272

 Frag | 1 | -tert Carbon [3 or more carbon attach]  |-0.5774  | -0.5774

 Const |    | Equation Constant                        |         | 0.2492

-------+-----+--------------------------------------------+----------+---------

 NOTE |    | Minimum Solubility (log S = -12.00) Applied!        |

-------+-----+--------------------------------------------+----------+---------

                             Log Water Sol (moles/L) at 25 dec C = -12.0000

                             Water Solubility (mg/L) at 25 dec C =5.4083e-007

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)Based on structural features, the water solubility of the substance at 25 degr C was calculated to be < 1.1x10-5 mg/L using EPISuite 4.11 (estimation with WATERNT Program (v1.01)). The substance shall be considered as (highly) insoluble in water.

Reference 6

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

1999-01-20 to 1999-04-30

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

GLP - Guideline study, tested with the source substance 131459-39-7. In accordance to the ECHA guidance document "Practical guide 6: How to report read-across and categories (March 2010)", the reliability was changed from RL1 to RL2 to reflect the fact that this study was conducted on a read-across substance.

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Remarks:

Department of Health of the Government of the United Kingdom

Type of method:

flask method

Key result

Water solubility:

< 0.353 mg/L

Temp.:

20 °C

pH:

5.6 - 5.9

Remarks on result:

other: Reported value given as limit value.

Preliminary test

The preliminary estimate of water solubility was 1.4 x 10 ^-3 g/L.

Definitive test

The mean total peak areas relating to the standard and sample solutions are shown in table below:

Solutiuon	Mean total peak area
Standard 50.4 mg/L	1.737 x 10^5
Standard 50.1 mg/L	1.739 x 10^5
Sample 1A	6.797 x 10^3
Sample 1B	3.750 x 10^4
Sample 3A	4.514 x 10^3
Sample 3B	1.693 x 10^4
Standard 50.8 mg/L	1.022 x 10^5
Standard 52.1 mg/L	1.078 x 10^5
Sample 2A	3.585 x 10^4
Sample 2B	3.236 x 10^4

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

Sample number	Time shaken at ~ 30 °C (hours)	Time equilibrated at 20 °C (hours)	Concentration (g/L)	Solution pH
1	24	24	< 2.17 x 10^-4	5.6
2	48	24	< 3.53 x 10^-4	5.9
3	72	24	< 9.79 x 10^-5	5.6

Due to the very low levels of test material found in the sample solutions the results have been tabulated as limit values. The overall solubility is reported as a limit value (i.e. less than sample 2).

Reference 7

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: GLP-Guideline study with restrictions (determination of water solubility from the aqueous phase in determination of log Pow).

Qualifier:

according to guideline

Guideline:

other: OECD 107

Principles of method if other than guideline:

The water solubility is deduced from the detection of the test substance in the aqueous phases during determination of log Pow.The measurements were made with GC-FID.

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

< 0.3 mg/L

Temp.:

22 °C

Remarks on result:

other: The solubility of the test substance is less than the detection limit of GC-FID, which is stated to be 0.3 mg/L (given in 0.3 µg/mL).

No data given for pH.

The solubility of the test substance is less than the detection limit of GC-FID, which is stated to be 0.3 µg/mL (i.e. 0.3 mg/L).

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)

Reference 8

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

09 Jan - 17 Jan 2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Guideline study. For read-across, maximum reliability score is 2.

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

no

Type of method:

column elution method

Key result

Water solubility:

< 0.05 mg/L

Temp.:

20 °C

pH:

6.3 - 6.7

	Sample	Fraction No.	pH	Concentration [mg/L]
Run 1: Flow rate 25 mL/h	1	1(1 -2)	6.6	< 0.05
	2	2(3 -4)	6.7	< 0.05
	3	3(5 -6)	6.7	< 0.05
	4	4(7 -8)	6.6	< 0.05
	5	5(9 -10)	6.6	< 0.05
	6	6(11 -12)	6.6	< 0.05
	7	7(13 -14)	6.4	< 0.05
	8	8(15 -16)	6.4	< 0.05
Run 2: Flow rate 12.5 mL/h	1	1(1 -2)	6.5	< 0.05
	2	2(3 -4)	6.5	< 0.05
	3	3(5 -6)	6.4	< 0.05
	4	4(7 -8)	6.3	< 0.05
	5	5(9 -10)	6.4	< 0.05
	6	6(11 -12)	6.4	< 0.05
	7	7(13 -14)	6.5	< 0.05
	8	8(15 -16)	6.3	< 0.05
Mean of all concentration values:				< 0.05

The calibration curve fits over the whole range from 0.07 to 6.5 mg/L with r²=1.000. Due to this wide working range, quadratic fit was used.

In course of the recovery experiment, an average rate of 110 % was determined.

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)

Description of key information

Result determined using OCED method 105 and EU test guideline A6.

Key value for chemical safety assessment

Water solubility:

0.1 mg/L

at the temperature of:

20 °C

Additional information

HATCOL 2352

The flask method was used to determine the water solubility of Hatcol 2352.

The water solubility of Hatcol 2352 at 20.5 ± 0.5°C is < 1.0 x 10^-4g/l, the pH was 7.1

 

HATCOL 3331

The flask method was used to determine the water solubility of Hatcol 3331.

The water solubility of Hatcol 3331 at 20.3 ± 0.8°C is < 2.0x10^-4g/l, the pH was 7.0.

 

HATCOL 3344

The flask method was used to determine the water solubility of Hatcol 3344.

The water solubility of Hatcol 3344 at 20.0 ± 0.8°C is < 2.0x10^-4g/, the pH was 7.4.

 

HATCOL 5236

The flask method was used to determine the water solubility of Hatcol 5236.

The water solubility of Hatcol 5236 at 20.0 ± 0.8°C is < 2.0x10^-4g/l, the pH was 7.5.

HATCOL 1510

Based on structural features, the water solubility of the substance at 25 degr C was calculated to be < 1.1x10-5 mg/L using EPISuite 4.11 (estimation with WATERNT Program (v1.01)). Closely related structural analogues are slightly soluble or insoluble in water: CAS 11138-60-6 has a water solubility of 0.3 mg/L and CAS 78-16-0 has a water solubility of 0.05 mg/L (EU Method A.6.).

CAS 131459 -39 -7

The water solubility of this substance was deduced from the measurement of a similar substance (CAS-No. 131459 -39 -7). Water solubility is a property which decreases with increasing chain length for substances within the same group of chemicals. The chain lengt of the source substance is C5 and C9branched, the chain length of the target substance is C5, C7, C8 and C10. Therefore the solubility is deduced to be < 1 mg/L.

The substance is therefore considered to be insoluble in water.