3,5-diaminobenzoic acid

Endpoint summary

Description of key information

Short-term toxicity to fish:

The short-term toxicity of the test substance 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) to fish species Danio rerio (previous name: Brachydanio rerio) is predicted using OECD QSAR Toolbox version 3.4 (2017), based on the effects observed in a static freshwater system during a 96 hr exposure. The median lethal concentration (LC50) for the substance is estimated to be 110.92 mg/L. Based on this value, it can be concluded that the test chemical 3,5-Diaminobenzoic acid can be considered as non-toxic to fish Danio rerio (previous name: Brachydanio rerio) at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

Short term toxicity to aquatic invertebrates:

The short-term toxicity of the 3,5-diaminobenzoic acid to invertebrate is predicted using QSAR toolbox version.3.4, based on the effects observed in a static freshwater system during a 48 hr exposure.The effect concentration (EC50) for the substance is estimated to be 142.2628479 mg/L on the basis of effects of intoxication at 20 degree C. 

Based on this value, it can be concluded that the test chemical 3,5-diaminobenzoic acid can be considered as non toxic to invertebrate at environmentally relevant concentrations and can be considered to be not classified as per the CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria

The short-term toxicity of the test substance 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) to  Desmodesmus subspicatus (algae) is predicted using OECD QSAR Toolbox version 3.4 (2017), based on the effects observed in a static freshwater system during a 72 hr exposure. The effect concentration (EC50) for the substance is estimated to be 153.05 mg/L. Based on this value, it can be concluded that the test chemical 3,5-Diaminobenzoic acid can be considered as non-toxic to Desmodesmus subspicatus (algae) at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

Toxicity to microorganisms:

Toxicity study of test chemical 3,5 Diaminobenzoic acid (Cas no. 535-87-5) for the luminescent marine bacterium Photobacterium phosphoreum(Strain : NRRL-B-11177)was determine by MicrotoxTM test.

Study conducted for 5, 15 or 30 min exposure and this test was determined at a temperature of 15 deg.C. and pH range >5 to <9 was used. Study was to calculate the effective concentration EC50 value of photobacterium phosphorum 50% reduction of the light emission.

At 30 min. exposure period EC50 value for toxicity to microorganism of test chemical 3, 5 diaminobenzoic (Cas no.535-87-5) acid was observed to be 31.8 mg/l.

Additional information

Short-term toxicity to fish:

Three studies including predicted data from validated models and experimental results from peer reviewed journal for short term fish toxicity endpoint of test chemical 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) with read across chemical which is closest to target using log kow as the primary descriptor were reviewed as follows:

In first study 96 hrs aquatic toxicity was observed, which conducted to assess toxic effects of the test compound 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) and the result were predicted using QSAR toolbox version 3.4. The prediction was based on the effects of the test compound on Danio rerio (previous name: Brachydanio rerio) in a static fresh water system. The predicted data suggests the lethal concentration (LC50) for the test compound 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) was estimated to be 110.92 mg/l on the basis of mortality effect. Thus, based on this value, it can be concluded that the test chemical 3,5-Diaminobenzoic acid can be considered as non toxic to fish and thus not consider for the further classification for aquatic environment as per the CLP classification criteria.

Above prediction supported by EPI Suite ECOSAR version 1.10 predicted model which indicate the 96 hours LC50 was estimated to be 22426.16 mg/l on Fish for substance 3,5 Diaminobenzoic acid  (CAS no. 535-87-5) on the basis of mortality effect. Thus, based on this value, it can be concluded that the test chemical 3,5 Diaminobenzoic acid can be considered as non-toxic to fish.

Both studies represent the same conclusion that target chemical 3,5 Diaminobenzoic acid  (CAS no. 535-87-5) non-toxic to fish and thus cannot be classified as hazardous as per the CLP criteria.

Last experimental study (J. Hydrol.51:359-367;1981) for read across Sulfanilic acid (Cas no. 121-57-3) indicate Static 96-hr. toxicity tests were conducted with 40 chemicals including chemical Sulfanilic acid (Cas no. 121-57-3) with the fresh-water fathead minnow fish.Test condition maintained as 40 to 48 mg/L CaCO3, 22 deg.C test temp., 7.2 to 7.9 pH, > 40 % Sat dissolved oxygen, 120 to 160 uS/cm conductivity and ALKALINITY used as 30 to 35 mg/L CaCO3. During the 96-hr. test penod, deaths were recorded and bodies removed. At the end of the experiment the lethal concentration (LC50) on the basis of mortality effect was observed to be >100.4 mg/l for exposure period of 96 hrs. Thus based on the lethality concentration of chemical Sulfanilic acid (Cas no. 121-57-3) it is concluded that the chemical non toxic to fish and thus not consider for the aquatic classification as per the CLP criteria.

Read across chemical also give assistance to experimental and predicted results of the target chemical.

Thus all above target data and other supported reports arrive at a judgement as the test substance 3,5 Diaminobenzoic acid  (CAS no. 535-87-5) can be considered as non-toxic to fish and thus cannot be classified as hazardous to aquatic environment as per the CLP criteria.

Short term toxicity to aquatic invertebrates:

Various predicted studies for3,5-diaminobenzoic acid(CAS no 535-87-5) and read across studies were reviewed to summarize the following information:

 

The short-term toxicity of the 3,5-diaminobenzoic acid to invertebrate is predicted using QSAR toolbox version.3.4, based on the effects observed in a static freshwater system during a 48 hr exposure.The effect concentration (EC50) for the substance is estimated to be 142.26 mg/L on the basis of effects of intoxication at 20 degree C. 

Another prediction of short-term toxicity of the 3,5-diaminobenzoic acid to invertebrate is predicted using EPI suite, ECOSAR version 1.1, based on the effects observed in a static freshwater system during a 48 hr exposure. The lethal concentration (LC50) for the substance is estimated to be 10099.964 mg/L.

 

Read across chemicals 1,3-Benzenediamine (108-45-2) and 3,5-Xylidine(108-69-0) both having 50-60 % structural similarity with target, studies were performed from J-check( Results of Ecotoxicity tests of chemicals conducted by Ministry of the Environment in Japan,1997 and 2001.)

Short term toxicity to aquatic invertebrates was performed according to the OECD guideline 202. The EC 50 value for m-phenylenediamine (108-45-2) and for 3, 5-Xylidine (108-69-0) was determined to be 2 mg/l and 2.2 mg/l. Based on the result, the m-phenylenediamine and 3, 5-Xylidine (108-69-0) was considered to be classified but as they are readily biodegradable, they can be considered to non-toxic to aquatic invertebrates and considered to be not classified according to the CLP regulations.

 

Based on the above prediction reports of target and studies of read across chemicals m-phenylenediamine (108-45-2) and 3,5-Xylidine(108-69-0) as both having 50-60 % structural similarity with target.

As all the above evidences suggests the target classification, so based on the results it was considered that 3,5-diaminobenzoic acid was not hazardous to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.

Toxicity to aquatic algae and cyanobacteria

Various study for the target chemical 3,5-Diaminobenzoic acid (CAS No. 535-87-5) and the study for its read across substancewere reviewed to summarize the following information:

 

The short-term toxicity of the test substance 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) to  Desmodesmus subspicatus (algae) is predicted using OECD QSAR Toolbox version 3.4 (2017), based on the effects observed in a static freshwater system during a 72 hr exposure. The effect concentration (EC50) for the substance is estimated to be 153.05 mg/L. Based on this value, it can be concluded that the test chemical 3,5-Diaminobenzoic acid can be considered as non-toxic to Desmodesmus subspicatus (algae) at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

 

The short-term toxicity of the test substance 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) to algae is predicted using EPI Suite ECOSAR version 1.10(EPI suite, 2017), based on the effects observed in a static freshwater system during a 96 hr exposure. The effect concentration (EC50) for the substance is estimated to be 2886.212 mg/L. Based on this value, it can be concluded that the test chemical 3,5-Diaminobenzoic acid can be considered as non-toxic to algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

 

In a weight of evidence study of short term toxicity to Pseudokirchneriella subcapitata (green algae) by Po Yi Lee et. al of read across substance 4 -Aminobenzoic acid (CAS no. 150-13-0) which is having a percentage similarity of 50-60% with the target chemical 3,5-Diaminobenzoic acid,was carried out for 48 hrs. The study was performed according to closed system algal toxicity test. The study was based on the effects of the read across compound 4 -Aminobenzoic acid (CAS no. 150-13-0) on Pseudokirchneriella subcapitata (green algae) in a static fresh water system. Algal inoculum was withdrawn from the chemostat operated under a steady state, and transferred into 300mL BOD bottles, together with dilution water (with growth medium) and toxicants. The BOD bottles were filled completely, leaving no headspace. A water seal was provided to ensure a closed test environment. The bottles were then placed on an orbital shaker operated at 100 rpm. Temperature and light intensity were kept at 24±1◦C and 65µEm2/s (± 10%), respectively. The final yield and algal growth rate based on cell density counts was determined. The population density of the algae was determined using an electronic particle counter. Probit analysis was applied to determine the concentration– response relationship and the median effective concentration (EC50). One-tail Dunnett’s procedure was applied for the estimation of NOEC and LOEC values at 5% level of significance. On the basis of effect on growth rate and yield of the test organism Pseudokirchneriella subcapitata (green algae), the 48 hr EC50 value was determined to be 724.4 and 199.9 mg/l, respectively and the NOEC value was determined to be 8.42 mg/l. Thus, based on the EC50 value, it can be concluded that the read across substance 4 -Aminobenzoic acid can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP classification criteria.

 

Another weight of evidence study(J-CHECK, 2016)of short term toxicity to green algae was carried out for 72 hrs for evaluating the effect of the read across substance 3,5 -Xylidine (CAS no. 108 -69 -0) which is having a percentage similarity of 50 -60% with the target chemical 3,5 -Diaminobenzoic acid. The study was based on the effects of the read across compound 3,5 -Xylidine (CAS no. 108 -69 -0) on green algae in a static fresh water system. On the basis of effect on growth rate of the test organism green algae, the 72 hr EC50 and NOEC value was determined to be 29 and 5.8 mg/l and on the basis of areas under the growth curves, the 72 hr EC50 and NOEC value was determined to be 22 and 5.8 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance 3,5 -Xylidine can be considered as toxic to aquatic organisms and thus can be classified as aquatic chronic category 3. Since the test chemical is readily biodegradable in nature, chemical 3,5 -Xylidine can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP classification criteria.

 

Based on the overall reported results for target and its read across substance, it can be concluded that the test substance 3,5 -Diaminobenzoic acid can be considered as non-toxic to algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria

Toxicity to microorganisms:

Three studies including experimental studies from peer reviewed journal and predicted data from validated models for micro organism endpoint of test chemical 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) with read across chemical which is closest to target using log kow as the primary descriptor were reviewed as follows:

First study from the peer reviewed journal (Water Poll. Res. J. Canada; 1991 Volume 26, No. 3, 361-431) indicate toxicity study of test chemical 3,5 Diaminobenzoic acid (Cas no. 535-87-5) for the luminescent marine bacterium Photobacterium phosphoreum(Strain : NRRL-B-11177)was determine by MicrotoxTM test.Study conducted for 5, 15 or 30 min exposure and this test was determined at a temperature of 15 deg.C. and pH range >5 to <9 was used. Study was to calculate the effective concentration EC50 value of photobacterium phosphorum 50% reduction of the light emission. At 30 min. exposure period EC50 value for toxicity to microorganism of test chemical 3, 5 diaminobenzoic (Cas no.535-87-5) acid was observed to be 31.8 mg/l.

Above Experimental data for target was supported by predicted report using QSAR toolbox version 3.4. The prediction indicate the toxicity to micro organism of the substance 3,5 Diaminobenzoic acid (Cas no. 535-87-5) to Tetrahymena pyriformis based on the effects observed in a static freshwater system during a 48 hr exposure. The Inhibition growth concentration (IGC50) for the substance 3,5 Diaminobenzoic acid is estimated to be 450.74 mg/L.Based on this value, it can be concluded that the test chemical 3,5 Diaminobenzoic acid may have no concern to micro organism toxicity for acute exposure period.

Last experimental study from authorative database (ECOTOX database) for read across 3-aminophenol (Cas no. 591-27-5) indicate the effect concentration (EC20) for the substance 3-Aminophenol (CAS no. 591-27-5) was determine to be 70 mg/l on micro organism species Tetrahymena thermophila (Ciliate Protozoa) on the basis of effect on Adenosine triphosphatase activity in static fresh water.

Thus all above available experimental and other supported reports arrive at a judgement as the test substance 3,5-Diaminobenzoic acid (CAS no. 535 -87 -5) may have showed toxic effect to micro organism for acute exposure time