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Ecotoxicological information

Toxicity to microorganisms

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Administrative data

Endpoint:
toxicity to microorganisms
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Predicted data
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for IGC50 read across evaluation for 618-83-7
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Name of test material: 5-hydroxyisopthalic acid
Molecular formula:C8H6O5
Substance type: Organic

Sampling and analysis

Analytical monitoring:
not specified

Test solutions

Vehicle:
not specified

Test organisms

Test organisms (species):
Tetrahymena pyriformis

Study design

Test type:
static
Water media type:
freshwater
Total exposure duration:
48 h

Results and discussion

Effect concentrations
Duration:
48 h
Dose descriptor:
other: IGC50
Effect conc.:
285.998 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
other: Growth

Any other information on results incl. tables






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

(((("a" and "b" ) and ("c" and ( not "d") ) ) and "e" ) and ("f" and "g" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)c1cc(C(=O)O)cc(O)c1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(=O)(O)c1cc(C(=O)O)cc(O)c1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "c"

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

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Benzoquinones OR MA: Direct Acting Schiff Base Formers OR MA: Polarised Alkenes OR MA: Quinones and Quinone-type Chemicals OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff Base Formers OR Mono-carbonyls OR Polarised alkene - ketones by Protein binding by OECD

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Low (Class I) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.19

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.43

Applicant's summary and conclusion

Conclusions:
The inhibition growth concentration (IGC50) value of 5-hydroxyisopthalic acid in microorganism (Tetrahymena pyriformis) in a 48 hr study on the basis of effect on growth was estimated to be 285.9983 mg/L.
Executive summary:

The inhibition growth concentration (IGC50) value of 5-hydroxyisopthalic acid in microorganism (Tetrahymena pyriformis) in a 48 hr study on the basis of effect on growth was estimated to be 285.9983 mg/L.