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Hydrolysis

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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:
read-across source
Reason / purpose:
read-across source
Qualifier:
according to
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.

Key value for chemical safety assessment

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.