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Toxicity to microorganisms

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Reference
Endpoint:
toxicity to microorganisms
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:
Prediction is done using OECD QSAR Toolbox version 3.3. The supporting QMRF report has been attached
Reference:
Composition 0
Qualifier:
according to
Guideline:
other:
Principles of method if other than guideline:
Prediction is done using 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
Analytical monitoring:
not specified
Vehicle:
not specified
Details on test solutions:
No data
Test organisms (species):
Tetrahymena pyriformis
Test type:
not specified
Water media type:
freshwater
Total exposure duration:
48 h
Hardness:
No data
Test temperature:
No data
pH:
No data
Dissolved oxygen:
No data
Salinity:
No data
Conductivity:
No data
Nominal and measured concentrations:
No data
Details on test conditions:
No data
Reference substance (positive control):
not specified
Key result
Duration:
48 h
Dose descriptor:
other: IGC50
Effect conc.:
652.631 mg/L
Nominal / measured:
estimated
Conc. based on:
not specified
Basis for effect:
other: Growth

The prediction was based on dataset comprised from the following descriptors: IGC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

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

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 High (Class III) by Toxic hazard classification by Cramer (with extensions) ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as No alert found by Carcinogenicity (genotox and nongenotox) alerts by ISS

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Halogenated benzene (Nongenotox) OR Structural alert for nongenotoxic carcinogenicity by Carcinogenicity (genotox and nongenotox) alerts by ISS

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.662

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.21

Validity criteria fulfilled:
not specified
Conclusions:
The Inhibitory growth concentration (IGC50) value for 1-methylpiperidin-4-ol for Tetrahymena pyriformis in a 48 hour study was estimated to be 652.63 mg/L on the basis of effects on growth inhibition.
Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the toxicity to microorganism was predicted for target substance 1-methylpiperidin-4-ol (CAS no. 106 -52 -5). IGC50 value was estimated to be 652.63 mg/l for Tetrahymena pyriformis for 48 h duration.

Description of key information

The Inhibitory growth concentration (IGC50) value for 1-methylpiperidin-4-ol for Tetrahymena pyriformis in a 48 hour study was estimated to be 652.63 mg/L on the basis of effects on growth inhibition.

Key value for chemical safety assessment

EC50 or LC50 for microorganisms:
652.63 mg/L

Additional information

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the toxicity to microorganism was predicted for target substance 1-methylpiperidin-4-ol (CAS no. 106 -52 -5). IGC50 value was estimated to be 652.63 mg/l for Tetrahymena pyriformis for 48 h duration.