Ethyltriphenylfosfonium bromide

Hydrolysis

Link to relevant study record(s)

Reference

Endpoint:

hydrolysis

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

experimental data of read across substances

Justification for type of information:

Data for the target chemical is summarized based on the structurally similar read across chemicals

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

WoE report is based on two hydrolysis studies as-
1., 2. and 3.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material : Ethyltriphenylfosfonium bromide
- Molecular formula : C20H20P.Br
- Molecular weight : 371.256 g/mol
- Smiles notation : [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC.[BrH-]
- InChl : 1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

not specified

Analytical monitoring:

yes

Remarks:

1. Yes, 2. and 3. No data available

Buffers:

1. - Composition of buffer: pH 4: 45 mL of 0.1 mol/L NaOH and 250 mL of 0.1 mol/L monopotassium citrate were filled up to 500 mL with purified water.pH 7: 148.15 mL of 0.1 mol/L NaOH and 250 mL of 0.1 mol/L monopotassium phosphate were filled up to 500 mL with purified water.pH 9: 106.5 mL of 0.1 mol/L NaOH, 250 mL of 0.1 mol/L H3BO3 in 0.1 mol/L KCL.

2. and 3. No data available

Estimation method (if used):

1. and 2. No data available
3. Structure estimation method

Details on test conditions:

1. Test substance was added in the test water of pH 4, pH 7 and pH 9 to be the test concentration of about 0.05 mg/L. These test solutions were shook for 5 days at 50 degree C. After that, the test concentration of each test water was measured and compared with the initial concentration.

2. and 3. No data available

Duration:

5 d

Temp.:

50 °C

Remarks:

1. The study was performed at pH 4, 7 and 9, respectively.

Remarks:

2. and 3. No data available

Positive controls:

not specified

Negative controls:

not specified

Transformation products:

not specified

% Recovery:

96.5

pH:

5

Temp.:

50 °C

Duration:

5 d

Remarks on result:

other: 1. %recovery: 98.5%, 94.6% (average 96.5%)

% Recovery:

97.5

pH:

7

Temp.:

50 °C

Duration:

5 d

Remarks on result:

other: 1. % recovery: 98.0%, 96.9% (average 97.5%)

% Recovery:

98.6

pH:

9

Temp.:

50 °C

Duration:

5 d

Remarks on result:

other: 1. % recovery: 96.5%, 101% (average 98.6%)

Remarks on result:

other: 2. and 3. No data available

Temp.:

50 °C

DT50:

> 5 d

Remarks on result:

other: 1. The study was performed at pH 4, 7 and 9, respectively.

Remarks on result:

other: 2. Although half-life value of test chemical was not known, but it was noted that chemical is not susceptible to hydrolysis.

pH:

7

DT50:

1.4 yr

Type:

second order

Remarks on result:

other: 3. Hydrolysis rate constant is 0.16 L/mol-sec.

pH:

8

DT50:

51 d

Type:

second order

Remarks on result:

other: 3. Hydrolysis rate constant is 0.16 L/mol-sec.

Details on results:

1. Test chemical was reported to be hydrolytically stable at pH 4, 7 and 9, respectively at a temperature of 50⁰C for 5 days.
2. and 3. No data available

1.

Result:

 

pH	Initial concentration	Concentration after 5 days	Residue	Average residue
pH 4.0	0.0392 mg/L	0.0386 mg/L	98.5 %	96.5 %
		0.0371 mg/L	94.6 %
pH 7.0	0.0398 mg/L	0.0390 mg/L	98.0 %	97.5 %
		0.0386 mg/L	96.9 %
pH 9.0	0.0391 mg/L	0.0378 mg/L	96.5 %	98.6 %
		0.0394 mg/L	101 %

 

In all pHs, the residues of the test substance were more than 90 %.

2. and 3. No data available

Validity criteria fulfilled:

not specified

Conclusions:

On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be > 5 days at pH 4, 7 and 9 & at a temperature of 50⁰C or 1.4 yrs and 51 days at pH 7 and 8 with a second order hydrolysis rate constant of 0.16 L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.

Executive summary:

Data available for the test chemical has been reviewed to determine the half-life of hydrolysis as a function of pH. The studies are as mentioned below:

The half-life of the test chemical was determined at different pH range. The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH) at a temperature of 50°C and pH of 4, 7 and 9, respectively. The average percentage recovery of the test chemical after 5 days was determined to be 96.5, 97.5 and 98.6% at pH 4, 7 and 9, respectively. As no hydrolysis of test chemical was observed for a period of 5 days, the half-lives was determined to be > 5 days at pH 4, 7 and 9 & at a temperature of 50⁰C, respectively. Based on the half-life values, it is concluded that the test chemical is not hydrolysable.

For the test chemical, the hydrolysis half-life was determined. Although half-life value of test chemical was not known, but it was noted that chemical is not susceptible to hydrolysis and thus it was reported to be hydrolytically stable. On the basis of this, test chemical isconsidered to be not hydrolysable.

In an another study, the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the test chemical. The second order hydrolysis rate constant of test chemical was determined to be 0.16L/mol-sec with a corresponding half-lives of 1.4 yrs and 51 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the test chemical is not hydrolysable.

On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be > 5 days at pH 4, 7 and 9 & at a temperature of 50⁰C or 1.4 yrs and 51 days at pH 7 and 8 with a second order hydrolysis rate constant of 0.16 L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.

Description of key information

On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be > 5 days at pH 4, 7 and 9 & at a temperature of 50⁰C or 1.4 yrs and 51 days at pH 7 and 8 with a second order hydrolysis rate constant of 0.16 L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.

Additional information

Data available for the test chemical has been reviewed to determine the half-life of hydrolysis as a function of pH. The studies are as mentioned below:

 

The half-life of the test chemical was determined at different pH range. The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH) at a temperature of 50°C and pH of 4, 7 and 9, respectively. The average percentage recovery of the test chemical after 5 days was determined to be 96.5, 97.5 and 98.6% at pH 4, 7 and 9, respectively. As no hydrolysis of test chemical was observed for a period of 5 days, the half-lives was determined to be > 5 days at pH 4, 7 and 9 & at a temperature of 50⁰C, respectively. Based on the half-life values, it is concluded that the test chemical is not hydrolysable.

 

For the test chemical, the hydrolysis half-life was determined. Although half-life value of test chemical was not known, but it was noted that chemical is not susceptible to hydrolysis and thus it was reported to be hydrolytically stable. On the basis of this, test chemical isconsidered to be not hydrolysable.

 

In an another study, the half-life and base catalyzed second order hydrolysis rate constant was determined using a structure estimation method of the test chemical. The second order hydrolysis rate constant of test chemical was determined to be 0.16L/mol-sec with a corresponding half-lives of 1.4 yrs and 51 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the test chemical is not hydrolysable.

 

On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be > 5 days at pH 4, 7 and 9 & at a temperature of 50⁰C or 1.4 yrs and 51 days at pH 7 and 8 with a second order hydrolysis rate constant of 0.16 L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.