O,O-dibutyl hydrogen thiophosphate, compound with 1-octylamine (1:1)

Water solubility

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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

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

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 solubility

Water solubility 1

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

Water solubility 2

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 10^6
Standard 10.1 mg/L	8.378 x 10^6
Standard 25.2 mg/L	1.832 x 10^7
Standard 50.3 mg/L	3.147 x 10^7
Standard 52.1 mg/L	3.251 x 10^7
Standard 75.5 mg/L	4.219 x 10^7
Standard 101 mg/L	5.180 x 10^7
Sample 1A	1.11 x 10^7
Sample 1B	1.10 x 10^7
Sample 2A	1.67 x 10^7
Sample 2B	1.71 x 10^7
Sample 3A	1.08 x 10^7
Sample 3B	1.08 x 10^7
Sample 4A	1.69 x 10^7
Sample 4B	1.67 x 10^7
Sample 5A	1.12 x 10^7
Sample 5B	1.13 x 10^7
Sample 6A	1.69 x 10^7
Sample 6B	1.67 x 10^7

 

 

C8 alkyl amine

Solution	Mean peak area
Standard 5.03 mg/L	3.589 x 10^7
Standard 10.1 mg/L	6.218 x 10^7
Standard 25.2 mg/L	1.187 x 10^8
Standard 50.3 mg/L	1.798 x 10^8
Standard 52.1 mg/L	1.874 x 10^8
Standard 75.5 mg/L	2.236 x 10^8
Standard 101 mg/L	2.596 x 10^8
Sample 1A	1.56 x 10^8
Sample 1B	1.56 x 10^8
Sample 2A	1.16 x 10^8
Sample 2B	1.18 x 10^8
Sample 3A	1.51 x 10^8
Sample 3B	1.54 x 10^8
Sample 4A	1.17 x 10^8
Sample 4B	1.16 x 10^8
Sample 5A	1.54 x 10^8
Sample 5B	1.56 x 10^8
Sample 6A	1.16 x 10^8
Sample 6B	1.14 x 10^8

 

 

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