Registration Dossier

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Starting Date: 19 June 2015 Experimental Completion Date: 04 August 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guidelineopen allclose all
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
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
(3S,6E)-3,7,11-trimethyldodeca-6,10-dienal
EC Number:
810-298-1
Cas Number:
194934-66-2
Molecular formula:
C15H26O
IUPAC Name:
(3S,6E)-3,7,11-trimethyldodeca-6,10-dienal
Test material form:
liquid

Results and discussion

Water solubility
Key result
Water solubility:
0 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
ca. 5.5

Any other information on results incl. tables

Results

Preliminary Test

The preliminary estimate of water solubility was 1.18 x 10-3 g/L at 20.0 °C.

Main Test

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

Table 3.8

 

Solution

Mean PeakArea

Standard 21.2 mg/L

3.3205 x 105

Standard 22.0 mg/L

3.4550 x 105

Sample 1A

4.1655 x 104

Sample 1B

5.3138 x 104

Sample 2A

3.0156 x 104

Sample 2B

3.1699 x 104

Sample 3A

2.6953 x 104

Sample 3B

2.7221 x 104

Standard 20.2 mg/L

3.0598 x 105

Standard 20.2 mg/L

3.0022 x 105

Sample 4A

4.8651 x 104

Sample 4B

4.8419 x 104

Sample 5A

6.2761 x 104[1]

Sample 5B

8.6129 x 104

Sample 6A

2.9202 x 104

Sample 6B

2.9435 x 104

 

Typical chromatography is presented as Appendix 2 - Attachment 1 of this Summary


[1]Sample not used due to multiple interfering peaks in the chromatography.

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

 

Table 3.9

 

Sample Number

Time Shaken at

~ 30 ºC (hours)

Time Equilibrated at 20 ºC (hours)

Concentration (g/L)

Solution pH

1

24

24

1.51 x 10-4

5.44

2

48

24

9.85 x 10-5

5.73

3

72

24

8.62 x 10-5

5.54

4

1

1

1.62 x 10-4

5.59

5

2

1

2.87 x 10-4

5.42

6

3

1

9.78 x 10-5

5.22

 

Mean concentration   :          1.47 x 10-4 g/L at 20.0 ± 0.5 ºC

Range                        :          8.62 x 10-5to 2.87 x 10-4 g/L

Standard Deviation    :          7.52 x 10-5

 

 

 

Applicant's summary and conclusion

Conclusions:
Interpretation of results: slightly soluble (0.1-100 mg/L)
The water solubility of the test item has been determined to be 2.87 x 10^-4 g/L of solution at 20.0 ± 0.5 °C.
Executive summary:

The determination was carried out using the flask method, designed to be compatible with Method A6 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.

 

The test system consists of purified water with a resistivity of greater than 15MΩ.

Conclusion

The water solubility of the test item has been determined to be 2.87 x 10-4 g/L of solution at 20.0 ± 0.5 °C.