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Environmental fate & pathways

Hydrolysis

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Reference
Endpoint:
hydrolysis
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Data is predicted by OECD QSAR Toolbox version 3.3. The supporting QMRF report has been attached
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
The data is predicted using the OECD QSAR toolbox version 3.3.
GLP compliance:
not specified
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): 1-methylpiperidin-4-ol
- Molecular formula: C6H13NO
- Molecular weight: 115.175 g/mol
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
not specified
Analytical monitoring:
not specified
Details on sampling:
No data
Buffers:
No data
Estimation method (if used):
No data
Details on test conditions:
No data
Number of replicates:
No data
Positive controls:
not specified
Negative controls:
not specified
Transformation products:
not specified
Key result
Half-life:
74.907 d
Type:
not specified
Remarks on result:
other: other details not available

Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" or "b" or "c" or "d" or "e" )  and ("f" and ( not "g") )  )  and ("h" and ( not "i") )  )  and ("j" and "k" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aliphatic Amines by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alcohol AND Piperidine AND Saturated heterocyclic amine AND Saturated heterocyclic fragment by Organic Functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alcohol AND Overlapping groups AND Piperidine AND Saturated heterocyclic amine AND Saturated heterocyclic fragment by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino, aliphatic attach [-N<] AND Hydroxy, aliphatic attach [-OH] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Alcohol AND Amine AND Heterocyclic compound AND Hydroxy compound AND Secondary alcohol AND Tertiary aliphatic amine AND Tertiary amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Aliphatic Amines by US-EPA New Chemical Categories

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Acrylates/Methacrylates (Acute toxicity) OR Alkoxysilanes OR Esters (Acute toxicity) OR Esters (Chronic toxicity) OR Hindered Amines OR Neutral Organics OR Not categorized OR Substituted Triazines (Acute toxicity) OR Substituted Triazines (Chronic toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not categorized by OECD HPV Chemical Categories

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Primary amines OR Secondary amines by OECD HPV Chemical Categories

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 43 Da

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 143 Da

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of 1-methylpiperidin-4-ol was estimated to be 74.90 days, indicating that it is very negligibly hydrolysable.
Executive summary:

Hydrolysis of 1-methylpiperidin-4-ol was predicted using OECD QSAR toolbox version 3.3 (2017). The estimated half-life of 1-methylpiperidin-4-ol was estimated to be 74.90 days. This value indicates that 1-methylpiperidin-4-oli is very negligibly hydrolysable.

Description of key information

The estimated half-life of 1-methylpiperidin-4-ol was estimated to be 74.90 days, indicating that it is very negligibly hydrolysable.

Key value for chemical safety assessment

Half-life for hydrolysis:
74.9 d

Additional information

Predicted data for test compound4-Piperidinol, 1-methyl-(CAS No. 106-52-5) and its read across substance for the hydrolysis end point which is summarized as below:

The Hydrolysis of 1-methylpiperidin-4-ol was predicted using OECD QSAR toolbox version 3.3 (2017). The estimated half-life of 1-methylpiperidin-4-ol was estimated to be 74.90 days.

In supporting study for RA, Hydrolysis of substance Aziridine was studied at neutral pH (7). The half-life of Aziridine was determined to be 154 days.

Base on the above values indicates that the test substance 1-methylpiperidin-4-ol is very negligibly hydrolysable.