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Ecotoxicological information

Toxicity to microorganisms

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Reference
Endpoint:
toxicity to microorganisms
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The data is taken from QSAR toolbox version 3.1
GLP compliance:
not specified
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
Tetrahymena pyriformis
Test type:
static
Water media type:
freshwater
Total exposure duration:
48 h
Duration:
48 h
Dose descriptor:
other: IGC50
Effect conc.:
36.585 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
growth inhibition
Remarks on result:
other: not specified

The prediction was based on dataset comprised from the following descriptors: IGC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Phenols and Anilines by Acute aquatic toxicity MOA by OASIS

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Phenols by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Aryl AND Benzyl AND Phenol by Organic functional groups

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASIS v.1.1

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Nucleophilic addition OR Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization OR Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives OR Radical OR Radical >> Radical mechanism by ROS formation OR Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives OR Radical >> Radical mechanism by ROS formation >> Nitro Compounds OR Radical >> Radical mechanism by ROS formation >> Nitroso compounds OR Radical >> ROS formation after GSH depletion OR Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines OR Schiff base fomers OR Schiff base fomers >> Multi-step Shiff base formation OR Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups OR SN1 OR SN1 >> Carbenium ion formation OR SN1 >> Carbenium ion formation >> Nitroso compounds OR SN1 >> Glutathione-induced nitrenium ion formation OR SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds OR SN1 >> Nitrenium ion formation OR SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines OR SN1 >> Nitrenium ion formation >> N-hydroxylamines OR SN1 >> Nitrenium ion formation >> Nitro Compounds OR SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation OR SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds OR SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups by DNA binding by OASIS v.1.1

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Diarylesters OR Nucleophilic addition OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond >> Ketones OR Schiff base formation OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Activated alkyl esters OR SN2 >> Nucleophilic substitution on benzylic carbon atom OR SN2 >> Nucleophilic substitution on benzylic carbon atom >> Benzylic esters OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated halogens OR SNAr >> Nucleophilic aromatic substitution on activated halogens >> Activated haloarenes by Protein binding by OASIS v1.1

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Phenols and Anilines by Acute aquatic toxicity MOA by OASIS

Domain logical expression index: "i"

Similarity boundary:Target: c1(O)cc(CCCCCCCC=CCC=CCCC)ccc1_c1(O)cc(CCCCCCCCCCCCCCC)ccc1_c1(O)cc(CCCCCCCC=CCC=CCC=C)ccc1_c1(O)cc(CCCCCCCC=CCCCCCC)ccc1
Threshold=20%,
Dice(Atom centered fragments)

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of BCF which is >= 2.55 log(L/kg wet)

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of BCF which is <= 2.81 log(L/kg wet)

Conclusions:
The IGC50 value of Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene  in microbes (Tetrahymena pyriformis) for 48hr was found to be 36.58 mg/l.
Executive summary:

The IGC50 value of Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene  in microbes (Tetrahymena pyriformis) for 48hr was found to be 36.58 mg/l.

Description of key information

                 

The IGC50 value of Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene  in microbes (Tetrahymena pyriformis) for 48hr was found to be 36.58 mg/l.

The IGC50 value of Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene  in microbes (Tetrahymena pyriformis) for 48hr was found to be 36.58 mg/l.

Key value for chemical safety assessment

EC50 for microorganisms:
36.58 mg/L

Additional information

The summary of the weght of evidence studies is presented below :

Sr no

Endpoint

Effect values

Basis for effects

Duration

Species

Sources

1

IGC50

36.58 mg/l

Mortality

 48 hrs.

Tetrahymena pyriformis

 Predicted data

2

IGC50

60000 mg/L

Mortality

24hrs.

cladosporium

 Publication data