Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate

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)

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:

The prediction is done using QSAR Toolbox version 3.3 and supporting QMRF has been attached.

Principles of method if other than guideline:

The prediction is done using QSAR Toolbox version 3.3

GLP compliance:

no

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

other: Vibrio fischeri

Test type:

static

Total exposure duration:

30 min

Reference substance (positive control):

not specified

Key result

Duration:

0.5 h

Dose descriptor:

EC50

Effect conc.:

12.993 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

other: Physiology

The prediction was based on dataset comprised from the following descriptors: EC50
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" )  and ("f" and ( not "g") )  )  and "h" )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Naphthalene sulfonic acids, condensates by OECD HPV Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Non binder, MW>500 by Estrogen Receptor Binding

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Acid moiety AND Benzyl Alcohols AND Phenols, Poly AND Salt by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers >> 1-3-Dicarbonyls OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated halo-benzenes by Protein binding by OECD

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS ONLY

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.072

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.89

Validity criteria fulfilled:

not specified

Conclusions:

The Effective concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Vibrio fischeri in a 30 minute study is estimated to be 12.99 mg/L based on the effects on physiology.

Executive summary:

Toxicity to micro-organisms of Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) is estimated using QSAR Toolbox version 3.3. The Effective concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Vibrio fischeri in a 30 minute study is estimated to be 12.99 mg/L based on the effects on physiology.

Description of key information

The Effective concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Vibrio fischeri in a 30 minute study is estimated to be 12.99 mg/L based on the effects on physiology.

Key value for chemical safety assessment

EC50 for microorganisms:

12.99 mg/L

Additional information

Toxicity to micro-organisms of Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) was estimated using QSAR Toolbox version 3.3. The Effective concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Vibrio fischeri in a 30 minute study is estimated to be 12.99 mg/L based on the effects on physiology while in Pseudomonas putida in a 17 hour study it is estimated to be 6597.21 mg/L based on growth inhibition effect.