Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene 

Toxicity to microorganisms

Link to relevant study record(s)

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