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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
27 Feb to 13 Mar 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Guideline study (solubility below limit of detection).
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Principles of method if other than guideline:
L142 A/57-66
GLP compliance:
no
Type of method:
column elution method
Water solubility:
< 0.05 mg/L
Temp.:
20 °C
pH:
>= 6.4 - <= 6.5

Quantitative determination of the analyte

 

Flow rate (mL/h)

Fraction No.

Water Solubility of test item

mg/L

pH value

25.0

1 (1-2)

< 0.05

6.4

 

2 (3-4)

< 0.05

6.4

 

3 (5-6)

< 0.05

6.4

 

4 (7-8)

< 0.05

6.5

 

5 (9-10)

< 0.05

6.4

 

6 (11-12)

< 0.05

6.4

 

7 (13-14)

< 0.05

6.4

 

8 (15-16)

< 0.05

6.4

 

 

 

 

12.5

1 (1-2)

< 0.05

6.4

 

2 (3-4)

< 0.05

6.4

 

3 (5-6)

< 0.05

6.4

 

4 (7-8)

< 0.05

6.5

 

5 (9-10)

< 0.05

6.4

 

6 (11-12)

< 0.05

6.5

 

7 (13-14)

< 0.05

6.4

 

8 (15-16)

< 0.05

6.5

 

All analysed fractions (at 12.5 mL/h and 25 mL/h) contained below 0.05 mg/L (limit of detection) of the test item.

The calibration curve fits over the whole working range from 0.05 to 2.17 mg/L with r²=1. Due to the wide calibration range, quadratic fit was used.

In the course of the recovery experiment, an average recovery rate of 113% was found.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
23 Jan to 09 Feb 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Guideline study (solubility below limit of detection).
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Principles of method if other than guideline:
L142 A/57-66
GLP compliance:
no
Type of method:
column elution method
Water solubility:
< 0.05 mg/L
Temp.:
20 °C
pH:
>= 6.1 - <= 6.6

Quantitative determination of the analyte

 

Flow rate (mL/h)

Fraction No.

Water Solubility of Oleyl oleate / (Z)-octadec-9-enyl oleate

mg/L

pH value

25.0

1 (1-2)

< 0.05

6.6

 

2 (3-4)

< 0.05

6.6

 

3 (5-6)

< 0.05

6.5

 

4 (7-8)

< 0.05

6.6

 

5 (9-10)

< 0.05

6.5

 

6 (11-12)

< 0.05

6.5

 

7 (13-14)

< 0.05

6.6

 

8 (15-16)

< 0.05

6.6

 

 

 

 

12.5

1 (1-2)

< 0.05

6.4

 

2 (3-4)

< 0.05

6.4

 

3 (5-6)

< 0.05

6.1

 

4 (7-8)

< 0.05

6.3

 

5 (9-10)

< 0.05

6.3

 

6 (11-12)

< 0.05

6.2

 

7 (13-14)

< 0.05

6.5

 

8 (15-16)

< 0.05

6.4

 

All analysed fractions (at 12.5 mL/h and 25 mL/h) contained below 0.05 mg/L (limit of detection) of the test item.

The calibration curve fits over the whole working range from 0.05 to 5.3 mg/L with r²=0.998. Due to this wide calibration range, quadratic fit was used.

In the course of recovery experiment, a recovery rate of 100.0% was found.

Endpoint:
water solubility
Type of information:
read-across from supporting substance (structural analogue or surrogate)
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
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:
>= 6.1 - <= 6.6
Remarks on result:
other: Source: CAS 3687-45-4
Water solubility:
< 0.05 mg/L
Temp.:
20 °C
pH:
>= 6.4 - <= 6.5
Remarks on result:
other: Source: CAS 17673-56-2
Conclusions:
The water solubility for Fatty acids, C16 and C18-22 - unsatd., C16-18 and C18 unsatd. alkyl esters can be deduced to be: <0.05 mg/L at 20 °C.
Executive summary:

The water solubility of this substance was deduced from the measurement of two similar substances: (Z)-octadec-9-enyl oleate (CAS 3687-45-4) and (Z)-octadec-9-enyl (Z)-docos-13-enoate (CAS 17673-56-2). The water solubility for these substances was determined to be <0.05 mg/L at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).

The source substances are esters of unsaturated fatty acids (chain length C18 respectively C22) with unsaturated alcohol components (chain length C18). They are main constituentes of the target substance and are structurally very similar to the other constituents of the target substance. Therefore the water solubility for the target substance is similar to the water solubility of the source substances. The water solubility for Fatty acids, C16 and C18-22 - unsatd., C16-18 and C18 unsatd. alkyl esters can be deduced to be: <0.05 mg/L at 20 °C.

Description of key information

< 0.05 mg/L at 20 °C (read-across from similar substances)

Key value for chemical safety assessment

Additional information

The water solubility of this substance was deduced from the measurement of two similar substances: (Z)-octadec-9-enyl oleate (CAS 3687-45-4) and (Z)-octadec-9-enyl (Z)-docos-13-enoate (CAS 17673-56-2). The water solubility for these substances was determined to be <0.05 mg/L at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).

The source substances are esters of unsaturated fatty acids (chain length C18 respectively C22) with unsaturated alcohol components (chain length C18). They are main constituentes of the target substance and are structurally very similar to the other constituents of the target substance. Therefore the water solubility for the target substance is similar to the water solubility of the source substances. The water solubility for Fatty acids, C16 and C18-22 - unsatd., C16-18 and C18 unsatd. alkyl esters can be deduced to be: <0.05 mg/L at 20 °C.