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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental starting date: 28 April 2016 Experimental completion date: 14 April 2017
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

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
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
O,O-dibutyl hydrogen thiophosphate, compound with 1-octylamine (1:1)
EC Number:
300-947-2
EC Name:
O,O-dibutyl hydrogen thiophosphate, compound with 1-octylamine (1:1)
Cas Number:
93964-99-9
Molecular formula:
C8H19N.C8H19O3PS
IUPAC Name:
octan-1-amine dibutyl sulfanylphosphonate
impurity 1
Chemical structure
Reference substance name:
Octylamine
EC Number:
203-916-0
EC Name:
Octylamine
Cas Number:
111-86-4
Molecular formula:
C8H19N
IUPAC Name:
octan-1-amine
Test material form:
liquid
Specific details on test material used for the study:
Information as provided by the Sponsor. The Certificate of Analysis provided by the Sponsor is presented as Annex 1 (Please see Attachment Section of this Summary).
Identification: X-19575 Phosphorothioic acid, O,O-dibutyl ester, compd. with 1-octanamine, CASRN 93964-99-9
Appearance/Physical state: Amber colored viscous liquid
Batch: X-019575-00-00
Purity: 60 - 100%
Expiry date: 01 June 2017
Storage conditions: Room temperature, in the dark

Results and discussion

Water solubilityopen allclose all
Key result
Water solubility:
4.69 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
100 g/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
7
Key result
Water solubility:
4.86 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
10 g/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
7

Any other information on results incl. tables

Results

Preliminary Test

The preliminary estimate of water solubility was 0.519 g/L TOC, using a loading rate of nominal 1 g/L. 

Main Test

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

Dibutylphosphorothioate

Solution

Mean peak area

Standard 5.03 mg/L

4.437 x 106

Standard 10.1 mg/L

8.378 x 106

Standard 25.2 mg/L

1.832 x 107

Standard 50.3 mg/L

3.147 x 107

Standard 52.1 mg/L

3.251 x 107

Standard 75.5 mg/L

4.219 x 107

Standard 101 mg/L

5.180 x 107

Sample 1A

1.11 x 107

Sample 1B

1.10 x 107

Sample 2A

1.67 x 107

Sample 2B

1.71 x 107

Sample 3A

1.08 x 107

Sample 3B

1.08 x 107

Sample 4A

1.69 x 107

Sample 4B

1.67 x 107

Sample 5A

1.12 x 107

Sample 5B

1.13 x 107

Sample 6A

1.69 x 107

Sample 6B

1.67 x 107

 


 

C8 alkyl amine

Solution

Mean peak area

Standard 5.03 mg/L

3.589 x 107

Standard 10.1 mg/L

6.218 x 107

Standard 25.2 mg/L

1.187 x 108

Standard 50.3 mg/L

1.798 x 108

Standard 52.1 mg/L

1.874 x 108

Standard 75.5 mg/L

2.236 x 108

Standard 101 mg/L

2.596 x 108

Sample 1A

1.56 x 108

Sample 1B

1.56 x 108

Sample 2A

1.16 x 108

Sample 2B

1.18 x 108

Sample 3A

1.51 x 108

Sample 3B

1.54 x 108

Sample 4A

1.17 x 108

Sample 4B

1.16 x 108

Sample 5A

1.54 x 108

Sample 5B

1.56 x 108

Sample 6A

1.16 x 108

Sample 6B

1.14 x 108

 


 

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

Table27        Dibutylphosphorothioate

Sample number

Loading rate (g/L)

Time shaken at

~ 30 ºC (hours)

Time equilibrated at 20 ºC (hours)

Concentration (g/L)

Solution pH

A

B

Mean

1

100

24

24

1.85

1.81

1.83

7.0

2

10

24

24

2.97

3.06

3.02

7.0

3

100

48

24

1.78

1.77

1.77

7.0

4

10

48

24

3.01

2.98

3.00

7.0

5

100

72

24

1.86

1.87

1.86

7.0

6

10

72

24

3.01

2.97

2.99

7.0

Mean concentrations:

           Loading rate 100 g/L:           1.82 g/L
           Loading rate 10 g/L:             3.00 g/L

C8 alkyl amine

Sample number

Loading rate (g/L)

Time shaken at

~ 30 ºC (hours)

Time equilibrated at 20 ºC (hours)

Concentration (g/L)

Solution pH

A

B

Mean

1

100

24

24

2.90

2.92

2.91

7.0

2

10

24

24

1.91

1.97

1.94

7.0

3

100

48

24

2.77

2.85

2.81

7.0

4

10

48

24

1.93

1.90

1.91

7.0

5

100

72

24

2.86

2.91

2.89

7.0

6

10

72

24

1.90

1.87

1.88

7.0

Mean concentrations:

           Loading rate 100 g/L:           2.87 g/L
           Loading rate 10 g/L:             1.91 g/L

Total Test Item

The water solubility in terms of total test item (dibutylphosphorothioateandC8 alkyl amine) for loading rates 10 and 100 g/L are shown below:

           Loading rate 100 g/L:            4.69 g/L
           Loading rate 10 g/L:              4.91 g/L


 

Total organic carbon analysis results are shown in the following table:

Total Organic Carbon

Sample number

Loading rate (g/L)

Time shaken at

~ 30 ºC (hours)

Time equilibrated at 20 ºC (hours)

TOC concentration (g/L)

1

100

24

24

3.57

2

10

24

24

2.32

3

100

48

24

3.50

4

10

48

24

2.28

5

100

72

24

3.54

6

10

72

24

2.27

Mean concentrations:

           Loading rate 100 g/L:           3.53 g/L TOC, 6.53 g/L as total test item
           Loading rate 10 g/L:             2.29 g/L TOC, 4.24 g/L as total test item

Applicant's summary and conclusion

Conclusions:
The water solubility of the test item is shown in the following table:

Test item loading rate(g//L) Mean water solubility, Total test item
(g/L at 20 °C)
100 4.69
10 4.86
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,Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995andMethod 830.7840 of the OPPTS Guidelines.

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

Conclusion

The water solubility of the test item is shown in the following table:

Test item loading rate
(g//L)

Mean water solubility, Total test item
(g/L at 20 °C)

100

4.69

10

4.86