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Short-term toxicity to fish

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Reference
Endpoint:
short-term toxicity to fish
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:
Data is predicted using OECD QSAR toolbox version 3.3 and QMRF report has been attached
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction was done by using OECD QSAR toolbox v3.3
GLP compliance:
not specified
Specific details on test material used for the study:
Name of test material : 2-hydroxy-p-toluic acid (m cresotic acid)
Molecular formula :C8H8O3
Molecular weight :152.148 g/mol
Smiles notation :Cc1ccc(c(c1)O)C(=O)O
InChl :1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
Substance Type: Organic
Physical State: Solid
Analytical monitoring:
not specified
Details on sampling:
No data available
Vehicle:
not specified
Test organisms (species):
Danio rerio (previous name: Brachydanio rerio)
Details on test organisms:
No data available
Test type:
static
Water media type:
freshwater
Total exposure duration:
96 h
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
377.303 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality

The prediction was based on dataset comprised from the following descriptors: LC50
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 ( not "i") )  )  and ("j" and ( not "k") )  )  and ("l" and ( not "m") )  )  and "n" )  and "o" )  and ("p" and ( not "q") )  )  and ("r" and ( not "s") )  )  and ("t" and "u" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as m,p - Cresols by OECD HPV Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Phenols (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Weak binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "d"

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

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Class 2 (less inert compounds) by Acute aquatic toxicity classification by Verhaar (Modified)

Domain logical expression index: "f"

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

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Michael addition OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones OR SN1 OR SN1 >> Carbenium Ion Formation OR SN1 >> Carbenium Ion Formation >> Allyl benzenes OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine by DNA binding by OECD

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Weak binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Non binder, impaired OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Weak binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Weak binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Strong binder, OH group OR Very strong binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Class 2 (less inert compounds) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY

Domain logical expression index: "o"

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

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as Alkyl substituent on aromatic ring AND Aromatic acid   [-C(=O)-OH] AND Aromatic alcohol  [-OH] AND Aromatic-CH3 AND Aromatic-H AND Benzene by Bioaccumulation - metabolism alerts

Domain logical expression index: "q"

Referential boundary: The target chemical should be classified as -CH2-  [linear] by Bioaccumulation - metabolism alerts

Domain logical expression index: "r"

Referential boundary: The target chemical should be classified as Methyldopa (Hepatotoxicity) Alert by Repeated dose (HESS)

Domain logical expression index: "s"

Referential boundary: The target chemical should be classified as Phenols (Mucous membrane irritation) Rank C by Repeated dose (HESS)

Domain logical expression index: "t"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.267

Domain logical expression index: "u"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.8

Validity criteria fulfilled:
not specified
Conclusions:
The LC50 value was estimated to be 377.3 mg/l when 2-hydroxy-p-toluic acid (m cresotic acid)exposed to Danio rerio (previous name: Brachydanio rerio) for 96hrs.
Based on the LC50 it was concluded that the m-cresotic acid was not toxic and can be consider as not classified as per the CLP classification criteria.
Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Danio rerio (previous name: Brachydanio rerio) was predicted for2-hydroxy-p-toluic acid (m cresotic acid) (50-85-1).The LC50 value was estimated to be 377.3 mg/l when 2-hydroxy-p-toluic acid (m cresotic acid)exposed to Danio rerio (previous name: Brachydanio rerio) for 96hrs.

Based on the LC50 it was concluded that the m-cresotic acid was not toxic and can be consider as not classified as per the CLP classification criteria.

Description of key information

Short term toxicity to fish:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Danio rerio (previous name: Brachydanio rerio)was predicted for2-hydroxy-p-toluic acid (m cresotic acid) (50-85-1).The LC50 value was estimated to be 377.3 mg/l when 2-hydroxy-p-toluic acid (m cresotic acid)exposed to Danio rerio (previous name: Brachydanio rerio)for 96hrs.

Based on the LC50 it was concluded that the m-cresotic acid was not toxic and can be consider as not classified as per the CLP classification criteria.

Key value for chemical safety assessment

LC50 for freshwater fish:
377.3 mg/L

Additional information

Short term toxicity to fish:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity onDanio rerio (previous name: Brachydanio rerio)was predicted for 2-hydroxy-p-toluic acid (m cresotic acid) (50-85-1).The LC50 value was estimated to be 377.3 mg/l when 2-hydroxy-p-toluic acid (m cresotic acid)exposed toDanio rerio (previous name: Brachydanio rerio)for 96hrs.

Based on the LC50 it was concluded that the m-cresotic acid was not toxic and can be consider as not classified as per the CLP classification criteria.

The above prediction for the target was was supported by experimental study conducted by Sustainability Support Services (Europe) AB for the structurally similar read across substance sodium salicylate (CAS:54 -21 -7).

This study was designed to assess the effect of Sodium salicylate (CAS No.54-21-7) on the mortality of Danio rerio. The study was conducted in accordance with OECD Guideline 203 (Fish, Acute Toxicity Test) in a static sysytem.

Preparation of the test solutions/dispersions :The test solution was prepared by dissolving 1 g of the test substance in 10 liters deionized water with continuous stirring.

Observations (mortality, visible symptoms, pH, Temperature, dissolved oxygen content) were recorded after 24 hours, 48 hours, 72 hours and 96 hours of the start of the experiment.

Based on nominal concentration, the median lethal concentration LC-50 (96 h) for Sodium salicylate on Danio rerio was found to be >100 mg/L according to probit analysis. The fishes were found to be freely swimming in the bowl aquaria without showing any abnormal symptoms. No mortalities were observed at the test concentration of 100 mg/l.

The above experimental data was supported by another structurally similar read across substance Benzoic acid (CAS:65 -85 -0) summarized in Sewage Ind. Wastes29(6): 695-711.

Acute fish toxicity study was conducted on Gambusia affinis (Western Mosquitofish) for exposure period of 96 hrs. with test temperature 19 to 21 deg.C and Ph 3.8 to 7.0, Alkalinity:100 ppm MO in static freshwater condition.

Concentrations used as 10,18,32,56 and 100 mg/l if death not observed then same series was used between 100 and 1000 mg/l again if no death observed continue with 1000 and 10000mg/l.

During experiment the lethal concentration (LC50) was observed to be 180 mg/l on the basis of mortality effect. Thus based on the experimental result it is concluded that the test chemical Benzoic acid was non hazardous to fish.

The above experimental data was further supported by experimental study summarized in Water Quality Criteria Data Book - Vol. 3 1971

for structurally similar read across substance 4-Hydroxybenzoic acid ( CAS: 99 -96 -7).

In acute fish toxicity study on species Carassius auratus (Goldfish) time to 50% mortality of organisms (LC50) of test substance 4-Hydroxybenzoic acid was reported to be 480 mg/l on the basis of mortality effect with exposure period 3.02 hrs.Mentioned concentration indicate that the test substance 4-Hydroxybenzoic acid was non toxic to fish.

Further more, another study for toxicity to fish was summarized in Jpn. J. Toxicol. Environ. Health32(1): 46-53 for structurally similar read across substance 1,2-Benzenedicarboxylic acid (CAS: 88 -99 -3).

In short term fish toxicity of test chemical Phthalic acid on test species Oryzias latipes (Japanese Medaka) the lethal concentration (LC50) for exposure period of 48 hrs. in static freshwater system and test temperature 30 deg.C was observed to be 1000 mg/l.

Thus based on the lethal concentration it is concluded that the test substance Phthalic acid was non hazardous to aquatic environment.

It can be concluded from the value that the 2-hydroxy-p-toluic acid (m cresotic acid) (50-85-1 ) is no toxic to the aquatic environment can be considered to be “not classified” as per the CLP classification criteria.