L-Glutamic acid, N-coco acyl derivs., monosodium salts

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:

accepted calculation method

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

Prediction of the 48 hr IGC50 of the test chemical using OECD QSAR toolbox.

GLP compliance:

no

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

Tetrahymena pyriformis

Test type:

flow-through

Water media type:

freshwater

Total exposure duration:

48 h

Key result

Duration:

48 h

Dose descriptor:

other: IGC50

Effect conc.:

2 433.129 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

growth inhibition

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" or "d" or "e" or "f" )  and ("g" and ( not "h") )  )  and ("i" and ( not "j") )  )  and "k" )  and ("l" and "m" )  )

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 Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr AND Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Carboxylic acid AND Sarcosine by Organic functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino, aliphatic attach [-N<] AND Amino, aliphatic attach [-NH-] AND Carbonyl, aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Alpha-aminoacid AND Amine AND Anion AND Carbonic acid derivative AND Carboxylic acid AND Carboxylic acid derivative AND Carboxylic acid salt AND Cation AND Secondary aliphatic amine AND Secondary amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino, aliphatic attach [-N<] AND Amino, aliphatic attach [-NH-] AND Carbonyl, aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Acid moiety AND Aliphatic Amines by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Inorganic Compound OR Phenol Amines OR Phenols by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Alkali Earth AND Non-Metals by Groups of elements

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Halogens by Groups of elements

Domain logical expression index: "k"

Similarity boundary:Target: C(=O)(O)C(CCC(=O)O{-}.[Na]{+})NCCCCCCCCCCCC
Threshold=60%,
Dice(Atom centered fragments)

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.61

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.346

Validity criteria fulfilled:

not specified

Conclusions:

On the basis of effect on growth inhibition of microorganism (Tetrahymena pyriformis), the 48 hr IGC50 value was estimated to be 2433.12 mg/L.

Executive summary:

On the basis of effect on growth inhibition of microorganism (Tetrahymena pyriformis), the 48 hr IGC50 value was estimated to be 2433.12 mg/L.

Description of key information

On the basis of effect on growth inhibition of microorganism (Tetrahymena pyriformis), the 48 hr IGC50 value was estimated to be 2433.12 mg/L.

Key value for chemical safety assessment

EC50 for microorganisms:

2 433.12 mg/L

Additional information

On the basis of effect on growth inhibition of microorganism (Tetrahymena pyriformis), the 48 hr IGC50 value was estimated to be 2433.12 mg/L.