Methanone, 1,1'-(1,4-phenylene)bis[1-(4-phenoxyphenyl)-

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

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. and 2.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (IUPAC name): 1,4-phenylene bis[(4-phenoxyphenyl)-methanone]
- Molecular formula: C32H22O4
- Molecular weight: 470.5218 g/mol
- Smiles : c1ccc(cc1)Oc2ccc(cc2)C(=O)c3ccc(cc3)C(=O)c4ccc(cc4)Oc5ccccc5
- InChI : 1S/C32H22O4/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28/h1-22H
- Substance Type: Organic
- Physical State: Solid

Radiolabelling:

not specified

Analytical monitoring:

not specified

Estimation method (if used):

1. Details not known
2. Structure estimation method

Temp.:

25 °C

Remarks:

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

Remarks:

2. No data available

Positive controls:

not specified

Negative controls:

not specified

Transformation products:

not specified

pH:

4

Remarks on result:

other: 1. Although half-life value of chemical was not known, but chemical was reported to be hydrolytically stable at pH 4.0.

pH:

7

Temp.:

25 °C

DT50:

47 d

Remarks on result:

other: 1. Other details not known

pH:

9

Temp.:

25 °C

DT50:

5.1 d

Remarks on result:

other: 1. Other details not known

pH:

8

DT50:

55 d

Type:

second order

Remarks on result:

other: 2. Hydrolysis rate constant of test chemical was determined to be 0.15 L/mol-sec.

pH:

9

DT50:

5.3 d

Type:

second order

Remarks on result:

other: 2. Hydrolysis rate constant of test chemical was determined to be 0.15 L/mol-sec.

pH:

10

DT50:

13 h

Type:

second order

Remarks on result:

other: 2. Hydrolysis rate constant of test chemical was determined to be 0.15 L/mol-sec.

Details on results:

1. The half-life period of test chemical was determined to be 47 and 5.1 days at pH 7.0 and 9.0, respectively and it was reported to be hydrolytically stable at pH 4 at a temperature of 25⁰C.
2. No data available

Validity criteria fulfilled:

not specified

Conclusions:

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] can be expected to be 47 and 5.1 days at pH 7.0 and 9.0 & at a temperature of 25⁰C, respectively and it was reported to be hydrolytically stable at pH 4 or 55 days, 5.3 days and 13 hrs at pH 8, 9 & 10, respectively iwth a second order hydrolysis rate constant of 0.15L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] is not hydrolysable.

Executive summary:

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the half-life of the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methan one] (CAS no. 54299 -17 -1). 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 25°C and pH of 4, 7 and 9, respectively. The half-life period of test chemical was determined to be 47 and 5.1 days at pH 7.0 and 9.0, respectively and it was reported to be hydrolytically stable at pH 4 & at a temperature of 25⁰C. On the basis of this, test chemical is considered to be not hydrolysable.

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 0.15L/mol-sec with a corresponding half-lives of 55 days, 5.3 days and 13 hrs at pH 8, 9 and 10, respectively. Based on the half-life value (55 days at pH 8.0), it is concluded that the test chemical is not hydrolysable.

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] can be expected to be 47 and 5.1 days at pH 7.0 and 9.0 & at a temperature of 25⁰C, respectively and it was reported to be hydrolytically stable at pH 4 or 55 days, 5.3 days and 13 hrs at pH 8, 9 & 10, respectively iwth a second order hydrolysis rate constant of 0.15L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] is not hydrolysable.

Description of key information

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] can be expected to be 47 and 5.1 days at pH 7.0 and 9.0 & at a temperature of 25⁰C, respectively and it was reported to be hydrolytically stable at pH 4 or 55 days, 5.3 days and 13 hrs at pH 8, 9 & 10, respectively iwth a second order hydrolysis rate constant of 0.15L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] is not hydrolysable.

Additional information

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the half-life of the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methan one] (CAS no. 54299 -17 -1). 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 25°C and pH of 4, 7 and 9, respectively. The half-life period of test chemical was determined to be 47 and 5.1 days at pH 7.0 and 9.0, respectively and it was reported to be hydrolytically stable at pH 4 & at a temperature of 25⁰C. On the basis of this, test chemical is considered to be not hydrolysable.

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 0.15L/mol-sec with a corresponding half-lives of 55 days, 5.3 days and 13 hrs at pH 8, 9 and 10, respectively. Based on the half-life value (55 days at pH 8.0), it is concluded that the test chemical is not hydrolysable.

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] can be expected to be 47 and 5.1 days at pH 7.0 and 9.0 & at a temperature of 25⁰C, respectively and it was reported to be hydrolytically stable at pH 4 or 55 days, 5.3 days and 13 hrs at pH 8, 9 & 10, respectively iwth a second order hydrolysis rate constant of 0.15L/mol-sec, respectively. Thus, based on this half-life value, it can be concluded that the test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] is not hydrolysable.