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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Remarks:
Summary of available data used for the endpoint assessment of the target substance
Adequacy of study:
key study
Justification for type of information:
Justification for read across see attached in section 13.
Reason / purpose:
read-across source
Reason / purpose:
read-across source
Reason / purpose:
read-across source
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Type of method:
column elution method
Water solubility:
< 0.05 mg/L
Temp.:
20 °C
pH:
>= 5.3 - <= 6.6
Remarks on result:
other: Source: CAS 19321-40-5
Water solubility:
< 0.15 mg/L
Temp.:
20 °C
pH:
>= 6.6 - <= 6.7
Remarks on result:
other: Source: CAS 68440-09-5
Water solubility:
< 0.05 mg/L
Temp.:
20 °C
pH:
>= 6.7 - <= 6.9
Remarks on result:
other: Source: CAS 68604-44-4
Conclusions:
The water solubility for Fatty acids lanolin, di-, tri- and tetraesters with pentaerythritol and rape fatty acid can be deduced to be: <0.15 mg/L at 20 °C.
Executive summary:

The water solubility of this substance was deduced from the measurement of three similar substances: Pentaerythritol tetraoleate (CAS 19321-40-5), Fatty acids, lanolin, esters with pentaerythritol (CAS 68440-09-5) and Fatty acids, C16-18 and C18-unsatd., tetraesters with Pentaerythritol (CAS 68604-44-4). The water solubility for these substances was determined to be <0.05 mg/L, < 0.15 mg/L and <0.05 mg/L respectively, all at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).

The source substances and the target substance have structural similarities and therefore the water solubility of the target substance can be deduced to be < 0.15 mg/L at 20°C. This result is taken as a worst case approach, since it is the highest water solubility from the 3 source substances.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
07 Dec - 14 Dec 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
L142 A/57-66
GLP compliance:
no
Type of method:
column elution method
Water solubility:
< 0.05 mg/L
Temp.:
20 °C
pH:
>= 5.3 - <= 6.6

Quantitative determination of the analyte:

Flow rate (mL/h)

Fraction No.

Water solubility ofPentaerythritol tetraoleate, mg/L

pH value

25.0

1 (1-2)

< 0.05

6.2

 

2 (3-4)

< 0.05

6.5

 

3 (5-6)

< 0.05

6.5

 

4 (7-8)

< 0.05

6.5

 

5 (9-10)

< 0.05

6.6

 

6 (11-12)

< 0.05

6.6

 

7 (13-14)

< 0.05

6.6

 

8 (15-16)

< 0.05

6.6

 

 

 

 

12.5

1 (1-2)

< 0.05

5.3

 

2 (3-4)

< 0.05

5.4

 

3 (5-6)

< 0.05

5.4

 

4 (7-8)

< 0.05

5.4

 

5 (9-10)

< 0.05

5.5

 

6 (11-12)

< 0.05

5.5

 

7 (13-14)

< 0.05

5.5

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Guideline study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
L142 A57/-66
GLP compliance:
no
Type of method:
column elution method
Water solubility:
< 0.15 mg/L
Temp.:
20 °C
pH:
>= 6.6 - <= 6.7

Flow rate (mL/h)

Fraction No.

Water solubility ofFatty acids, lanolin, esters with pentaerythritol, mg/L

pH value

25.0

1 (1-2)

< 0.15

6.7

 

2 (3-4)

< 0.15

6.7

 

3 (5-6)

< 0.15

6.7

 

4 (7-8)

< 0.15

6.7

 

5 (9-10)

< 0.15

6.7

 

6 (11-12)

< 0.15

6.7

 

7 (13-14)

< 0.15

6.7

 

8 (15-16)

< 0.15

6.7

 

 

 

 

12.5

1 (1-2)

< 0.15

6.7

 

2 (3-4)

< 0.15

6.6

 

3 (5-6)

< 0.15

6.7

 

4 (7-8)

< 0.15

6.6

 

5 (9-10)

< 0.15

6.7

 

6 (11-12)

< 0.15

6.6

 

7 (13-14)

< 0.15

6.6

   8 (15 -16)  < 0.15  6.6

The calibration curve fits over the whole working range from 0.06 – 6.04 mg/L with linar fit (r²=1.000).

In course of the recovery experiment, an average recovery rate of 104% were determined.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 Feb - 17 Feb 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Water solubility:
< 0.05 mg/L
Temp.:
20 °C
pH:
>= 6.7 - <= 6.9

Quantitative determination of the analyte:

Flow rate (mL/h)

Fraction No.

Water solubility of Fatty acid, C16-18, tetraesters with 3,3’ oxybis(1,2-propanediol), mg/L

pH value

25.0

1 (1-2)

< 0.05

6.9

 

2 (3-4)

< 0.05

6.8

 

3 (5-6)

< 0.05

6.6

 

4 (7-8)

< 0.05

6.7

 

5 (9-10)

< 0.05

6.7

 

6 (11-12)

< 0.05

6.7

 

7 (13-14)

< 0.05

6.7

 

8 (15-16)

< 0.05

6.7

 

 

 

 

12.5

1 (1-2)

< 0.05

6.7

 

2 (3-4)

< 0.05

6.7

 

3 (5-6)

< 0.05

6.8

 

4 (7-8)

< 0.05

6.7

 

5 (9-10)

< 0.05

6.7

 

6 (11-12)

< 0.05

6.7

 

7 (13-14)

< 0.05

6.8

   8 (15 -16)  < 0.05  6.8

In course of the recovery experiment, an average recovery rate of 118% were determined.

The calibration was performed with 6 calibration levels. The calibration curve fits over the whole woking range from 0.06 to 6.14 mg/L with r²=0.9993. Due to the wide calibration range, quadratic fit was used. pH value Millipore water: 6.5

Description of key information

< 0.15 mg/L at 20 °C

Key value for chemical safety assessment

Additional information

The water solubility of this substance was deduced from the measurement of three similar substances: Pentaerythritol tetraoleate (CAS 19321-40-5), Fatty acids, lanolin, esters with pentaerythritol (CAS 68440-09-5) and Fatty acids, C16-18 and C18-unsatd., tetraesters with Pentaerythritol (CAS 68604-44-4). The water solubility for these substances was determined to be <0.05 mg/L, < 0.15 mg/L and <0.05 mg/L respectively, all at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).

The source substances and the target substance have structural similarities and therefore the water solubility of the target substance can be deduced to be < 0.15 mg/L at 20°C. This result is taken as a worst case approach, since it is the highest water solubility from the 3 source substances.