1-methylpiperidin-4-ol

Toxicity to microorganisms

Link to relevant study record(s)

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

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

Prediction is done using OECD QSAR Toolbox version 3.3.

GLP compliance:

not specified

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 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.