Allyltributylphosphonium chloride

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Study plan dated : 11 Apr 2019 and experimental completion date 26.Apr.2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Allyltributylphosphonium chloride

EC Number:

216-231-7

EC Name:

Allyltributylphosphonium chloride

Cas Number:

1530-48-9

Molecular formula:

C15H32P.Cl

IUPAC Name:

tributyl(prop-2-en-1-yl)phosphanium chloride

impurity 1

Reference substance name:

Tetrahydrothiophene 1,1-dioxide

EC Number:

204-783-1

EC Name:

Tetrahydrothiophene 1,1-dioxide

Cas Number:

126-33-0

Molecular formula:

C4H8O2S

IUPAC Name:

tetrahydrothiophene 1,1-dioxide

impurity 2

Reference substance name:

Tributyl-1-propen-1-yl-phosphonium chloride

Molecular formula:

C15H32P.Cl

IUPAC Name:

Tributyl-1-propen-1-yl-phosphonium chloride

Test material form:

other: solid : wax like

Details on test material:

Homogeneity : homogeneous if totally melted
Note: For every use the test item was completely melted and the melted test item
was used for the test.

Specific details on test material used for the study:

in Test Facility: 18032901G
Date of Receipt: 29.Mar.2018
Condition at Receipt Room temperature, in proper conditions

The following information concerning identity and composition of the test item was provid-ed by the sponsor.
Name Allyltributylphosphonium chloride
Batch no. INT 18 192
Appearance Beige crystallised mass

Vapour pressure <0.1 hPa at 30 °C
Stability in solvents H2O: unknown; EtOH: unknown; acetone: unknown; CH3CN: unknown; DMSO: unknown
Solubility in solvents H2O: > 1 g/L; EtOH: unknown; acetone: unknown; CH3CN: unknown; DMSO: unknown
Expiry date 17. Oct. 2019
Storage Room Temperature (20 ± 5°C)

Results and discussion

Water solubility

Key result

Water solubility:

>= 10 000 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

ca. 2.5

Remarks on result:

completely miscible

Details on results:

The test item was completely dissolved without visible particles for the nominal loads 10 and 5 kg/L. For the nominal load 100 kg/L, the complete amount of water was absorbed by the test item resulting in a highly viscous sludge.
Therefore, Allyltributylphosphonium chloride was considered to be miscible with water in all proportions at room temperature (20 ± 0.5 °C), and no further testing was performed.

Any other information on results incl. tables

Amount Test Item [g]	Volume H2O [mL]	Temperature [°C]	pH Value	Observations
10.1293	0.1012	*	1-2^**	Completely dissolved
10.1918	1.0192	20.0	2.72	Completely dissolved
10.2449	2.0489	20.0	2.57	Completely dissolved

* measurement was not possible due to high viscosity of the test item solution

**measured via pH-paper as the measurement via pH-meter was not possible due to a low volume and high viscosity of the test item solution

Applicant's summary and conclusion

Conclusions:

During method validation, the turbidity after shaking was mis-interpreted as non-dissolved test item instead of impurities. Therefore, the nominal load was chosen too low initially. In the first experiment the test item appeared completely dissolved in all tested concentra-tions after 72 h shaking, with turbidity which is assumed to originate from the impurities. It was shown, that the solubility is not dependent on the weighed amount.
A repeated experiment with higher nominal load (2000 g/L) resulted in complete dissolu-tion of the test item, too. Therefore the test item was tested for miscibility with water using 5 kg/L, 10 kg/L, and 100 kg/L nominal concentration. As no phase separation between test item and water was observed at the tested nominal concentration, the results indicate that Allyltriphosphonium chloride is miscible with water in all proportions at room temperature (20 ± 0.5 °C), and no further testing was performed

Executive summary:

The determination of the water solubility of Allyltributylphosphonium chloride was performed using a simplified flask method, as the test item was shown to be very well soluble in water.

The test item was completely dissolved without visible particles for the nominal loads 10 and 5 kg/L. For the nominal load 100 kg/L, the complete amount of water was absorbed by the test item resulting in a highly viscous sludge