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EC number: 218-691-4 | CAS number: 2216-52-6
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: supporting information
- Reason / purpose for cross-reference:
- read-across: supporting information
- 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 (IUPAC): (+)-Neomenthol- Molecular formula: C10H20O- Molecular weight: 156.267 g/mol- Smiles notation: C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C- InChl: 1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1- Substance type: Organic- Physical state: Liquid
- Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Estimation method (if used):
- 1. Structure estimation method2. No data available
- Positive controls:
- not specified
- Negative controls:
- not specified
- Transformation products:
- not specified
- pH:
- 7
- DT50:
- 7.3 yr
- Type:
- second order
- Remarks on result:
- other: Hydrolysis rate constant is 0.03 L/mol-sec.
- pH:
- 8
- DT50:
- 270 d
- Type:
- second order
- Remarks on result:
- other: Hydrolysis rate constant is 0.03 L/mol-sec.
- Remarks on result:
- other: Half-life value of test chemical was not known.
- Details on results:
- 1. No data available 2. As the test chemical does not react with water and the only functional other than carbon-carbon and carbon-hydrogen bonds is the hydroxyl group, which does not hydrolyze, 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 (+)-Neomenthol can be expected to be 7.3 yrs and 270 days at pH 7 and 8, respectively with a hydrolysis rate constant of 0.03 L/mol-sec.Thus, based on this half-life value, it can be concluded that the test chemical (+)-Neomenthol 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 (+)-Neomenthol (CAS no. 2216 -52 -6). The studies are as mentioned below:
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 was determined to be 0.03L/mol-sec with a corresponding half-lives of 7.3 yrs and 270 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the test chemical is not hydrolysable.
In an another study, the half-life of the test chemical was determined in water. Although the half-life value of test chemical was not known, but it was noted that the test chemical does not react with water and the only functional other than carbon-carbon and carbon-hydrogen bonds is the hydroxyl group, which does not hydrolyze. Thus, based on this, test substance was reported to be hydrolytically stable and thus can be 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 (+)-Neomenthol can be expected to be 7.3 yrs and 270 days at pH 7 and 8, respectively with a hydrolysis rate constant of 0.03 L/mol-sec.Thus, based on this half-life value, it can be concluded that the test chemical (+)-Neomenthol is not hydrolysable.
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 (+)-Neomenthol can be expected to be 7.3 yrs and 270 days at pH 7 and 8, respectively with a hydrolysis rate constant of 0.03 L/mol-sec. Thus, based on this half-life value, it can be concluded that the test chemical (+)-Neomenthol is not hydrolysable.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 7.3 yr
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 (+)-Neomenthol (CAS no. 2216 -52 -6). The studies are as mentioned below:
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 was determined to be 0.03L/mol-sec with a corresponding half-lives of 7.3 yrs and 270 days at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the test chemical is not hydrolysable.
In an another study, the half-life of the test chemical was determined in water. Although the half-life value of test chemical was not known, but it was noted that the test chemical does not react with water and the only functional other than carbon-carbon and carbon-hydrogen bonds is the hydroxyl group, which does not hydrolyze. Thus, based on this, test substance was reported to be hydrolytically stable and thus can be 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 (+)-Neomenthol can be expected to be 7.3 yrs and 270 days at pH 7 and 8, respectively with a hydrolysis rate constant of 0.03 L/mol-sec.Thus, based on this half-life value, it can be concluded that the test chemical (+)-Neomenthol is not hydrolysable.
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