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EC number: 260-135-8 | CAS number: 56375-79-2
Hydrolysis
Administrative data
Link to relevant study record(s)
- 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 (IUPAC name): Tributylmethylammonium chloride
- Common name: Methy tributyl ammonium chloride (MTBAC)
- Molecular formula: C13H30ClN
- Molecular weight: 235.84 g/mol
- Smiles : [N+](CCCC)(CCCC)(CCCC)C.[ClH-]
- InChI : 1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
- Substance Type: Organic
- Physical State: Liquid - Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Temp.:
- 20 °C
- Remarks:
- 1. The study was performed at pH 4, 7 and 9, respectively.
- Remarks:
- 2. No data available
- Remarks:
- 3. No data available
- Positive controls:
- not specified
- Negative controls:
- not specified
- Transformation products:
- not specified
- Temp.:
- 20 °C
- DT50:
- > 1 yr
- Remarks on result:
- other: 1. The study was performed at pH 4, 7 and 9, respectively.
- DT50:
- > 5 - < 63 d
- Remarks on result:
- other: 2. Other details not known
- DT50:
- > 1 yr
- Remarks on result:
- other: 3. Other details not known
- Details on results:
- 1. The half-life period of test chemical was determined to be ≥ 1 yr at pH 4, 7 and 9, respectively and at a temperature of 20°C. Thus, test chemical was reported to be hydrolytically stable.
2. Test chemical was reported to undergoe slow to negligible hydrolysis in water with a half-life value ranging from 5 to 63 days, respectively.
3. The half-life period of test chemical was determined to be > 1 yr. Thus, test chemical was reported to be hydrolytically stable. - 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 Tributylmethylammonium chloride can be expected to be ≥ 1 yr at pH 4, 7 and 9 & at a temperature of 20°C or 5 to 63 days, respectively. Thus, based on this half-life value, it can be concluded that the test chemical Tributylmethylammonium chloride undergoes slow to negligible hydrolysis in water.
- 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 Tributylmethylammonium chloride (CAS no. 56375 -79 -2). The studies are as mentioned below:
The half-life of the test chemical was determined at different pH range. The study was performed at pH of 4, 7 and 9, & at a temperature of 20°C, respectively. The half-life period of test chemical was determined to be ≥ 1 yr at pH 4, 7 and 9, respectively & at a temperature of 20°C and thus test chemical was reported to be hydrolytically stable. On the basis of this, test chemical is considered to be not hydrolysable.
In an another study, the half-life of the test chemical was determined.The half-life value of test chemical was determined to be ranges from 5 to 63 days, respectively. Thus, based on the value, test chemical is considered to undergoe slow to negligible hydrolysis in water.
For the test chemical, the hydrolysis half-life value was determined.The hydrolysis of the quaternary nitrogen to a tertiary amine and an alcohol is thermodynamically very unfavorable with a delta G estimated from the delta H of reaction greater than +400 kJ mole. This is predicted to be a very endothermic reaction and should occur only under conditions of very high temperature.Thus, it can be concluded that the test chemical is stable in water and has a hydrolysis half-life of > 1 yr. On the basis of this, test chemical is considered to be 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 Tributylmethylammonium chloride can be expected to be ≥ 1 yr at pH 4, 7 and 9 & at a temperature of 20°C or 5 to 63 days, respectively. Thus, based on this half-life value, it can be concluded that the test chemical Tributylmethylammonium chloride undergoes slow to negligible hydrolysis in water.
Reference
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 Tributylmethylammonium chloride can be expected to be ≥ 1 yr at pH 4, 7 and 9 & at a temperature of 20°C or 5 to 63 days, respectively. Thus, based on this half-life value, it can be concluded that the test chemical Tributylmethylammonium chloride undergoes slow to negligible hydrolysis in water.
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 Tributylmethylammonium chloride (CAS no. 56375 -79 -2). The studies are as mentioned below:
The half-life of the test chemical was determined at different pH range. The study was performed at pH of 4, 7 and 9, & at a temperature of 20°C, respectively. The half-life period of test chemical was determined to be ≥ 1 yr at pH 4, 7 and 9, respectively & at a temperature of 20°C and thus test chemical was reported to be hydrolytically stable. On the basis of this, test chemical is considered to be not hydrolysable.
In an another study, the half-life of the test chemical was determined.The half-life value of test chemical was determined to be ranges from 5 to 63 days, respectively. Thus, based on the value, test chemical is considered to undergoe slow to negligible hydrolysis in water.
For the test chemical, the hydrolysis half-life value was determined.The hydrolysis of the quaternary nitrogen to a tertiary amine and an alcohol is thermodynamically very unfavorable with a delta G estimated from the delta H of reaction greater than +400 kJ mole. This is predicted to be a very endothermic reaction and should occur only under conditions of very high temperature.Thus, it can be concluded that the test chemical is stable in water and has a hydrolysis half-life of > 1 yr. On the basis of this, test chemical is considered to be 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 Tributylmethylammonium chloride can be expected to be ≥ 1 yr at pH 4, 7 and 9 & at a temperature of 20°C or 5 to 63 days, respectively. Thus, based on this half-life value, it can be concluded that the test chemical Tributylmethylammonium chloride undergoes slow to negligible hydrolysis in water.
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