Disodium 8-hydroxynaphthalene-1,6-disulphonate

Endpoint summary

Description of key information

Biodegradation in water

Biodegradability of Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS no. 83732 -80 -3) is predicted using QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. Test substance undergoes 1.1% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate was estimated to be not readily biodegradable in water.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No. 83732 -80 -3). If released in to the environment, 16.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.562%), indicates that Disodium 8-hydroxynaphthalene-1,6-disulfonate is not persistent in sediment.

 

Biodegradation in soil

The half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No. 83732 -80 -3) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 83.2% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Disodium 8-hydroxynaphthalene-1,6-disulfonate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation: aquatic / sediment

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate was estimated to be 2.29 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate is non-bioaccumulative in nature.

Adsorption / desorption

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate was estimated to be 296 L/kg (log Koc = 2.471).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance Disodium 8-hydroxynaphthalene-1,6-disulfonate has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

Additional information

Biodegradation in water

Predicted data for the target compound Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No. 83732-80-3) and various supporting weight of evidence studies for its structurally similar read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemical Disodium 8-hydroxy naphthalene-1,6-disulfonate(CAS No. 83732-80-3) was estimated.Test substance undergoes 1.1% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemicalDisodium 8-hydroxynaphthalene-1,6-disulfonatewas estimated to be not readily biodegradable in water.

 

In a supporting weight of evidence study from study report (Sustainability Support Services (Europe) AB, Report no. 4548-53-2/01/2016/RBD, 2016) for the read across chemical Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate (CAS no. 4548-53-2), 28-days Manometric respirometry testfollowing the OECD guideline 301F to determine the ready biodegradability of the read across item disodium 3- [(2,4 -dimethyl-5 -sulphonatophenyl)azo]-4 -hydroxynaphthalene-1 -sulphonate. The test system included control, test item and reference item. The concentration of test and reference item ( Sodium Benzoate) chosen for both the study was 30 mg/L, while that of inoculum was 10 ml/l. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % Degradation was calculated using the values of BOD and ThOD for test item and reference item. The BOD28 value of disodium 3-[(2,4-dimethyl-5- sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate, CAS No. 4548-53-2 was observed to be mgO2sup>/mg. ThOD was calculated as mgO2/mg. Accordingly, the % degradation of the read across item Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate after 28 days of incubation at 20 ± 1°C according to manometric respirometry test was determined to be 12.807 %.Based on the results, the test item, under the test conditions, was considered to be not readily biodegradable at 20± 1°C over a period of 28 days.

 

For the read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt (CAS no. 2611-82-7) from peer reviewed journal (U. Pagga and O. Brown, 1986), biodegradation study was carried out for 48 days for evaluating the percentage biodegradation of the read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt using modified OECD Guideline 302B. Activated sludge was used as a test inoculum. The sources of the activated sludge were treatment plants conveniently located to the laboratories carrying out the test. These treatment plants received communal and/or industrial wastewater. Concentration of inoculum i.e, activated sludge used was 0.5 g/l and initial test substance conc. used in the study was 100 mg/l. Analytical methods involve the measurement of extinction at absorption maximum 412 nm and DOC (dissolved organic carbon).The percentage degradation of substance 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt was determined to be 5% by DOC removal. Based on the limit values for classification of Static Test – the test chemical was classified in CATEGORY ‘D’. Thus, the substance 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt is considered to be not readily biodegradable in nature.

 

Another biodegradation study was conducted for evaluating the percentage biodegradability of read across substance 1,3 -Naphthalenedisulfonic acid, 7 -hydroxy-8 -((4 -sulfo-1 -naphthalenyl)azo)-, trisodium salt (CAS no. 2611 -82 -7) (Toshihide Saito et. al, 1984). Activated sludge was used as a test inoculum obtained from municipal sewage. Test substance of conc. 500 mg/l was prepared and diluted as needed. The COD measurement was performed by the potassium dichromate reflux method based on Japanese Industrial Standards. In the BOD measurement, a sample solution was taken into a container. Then JIS-BOD testing solutions, i.e. 3 ml of A solution and 1 ml of B, C, D solutions were added to the sample solution, respectively. Then 5 ml of the supernatant of the municipal sewage activated sludge was added to the sample solution and diluted to 300 ml with water. Immediately, the BOD-time curve was recorded at 20~ using an Ohkura OM-200I type coulometer. The TOC measurement was carried out by a Yanagimoto TOC-ILW.BOD5, COD, ThOD and TOC value of the test chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt was determined to be 0.021, 0.65, 1.23 and 0.20 g/g, respectively. The BOD5/TOC ratio of chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt was determined to be 0.11 (i.e. ranges in between 0.08-0.89), indicating that the chemical is highly resistant to aerobic biodegradation. Thus, based on this value BOD5/TOC value, it can be concluded that the chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt is not readily biodegradable in nature.

 

On the basis of above results for target chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (from OECD QSAR toolbox version 3.4, 2017) and for its read across substance (from peer reviewed journals and study report), it can be concluded that the test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate can be expected to be not readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No. 83732 -80 -3). If released in to the environment, 16.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.562%), indicates that Disodium 8-hydroxynaphthalene-1,6-disulfonate is not persistent in sediment.

 

Biodegradation in soil

The half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No. 83732 -80 -3) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 83.2% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Disodium 8-hydroxynaphthalene-1,6-disulfonate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Disodium 8-hydroxynaphthalene-1,6-disulfonate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

On the basis of available information, the test substanceDisodium 8-hydroxynaphthalene-1,6-disulfonate can be considered to be not readily biodegradable in nature.

Bioaccumulation: aquatic / sediment

Predicted data for the target compound Disodium 8-hydroxynaphthalene-1,6-disulfonate (CAS No. 83732-80-3) and various supporting weight of evidence study for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate was estimated to be 2.29 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt (CAS no. 2611-82-7),bioaccumulation experiment was conducted on test organism Cyprinus carpio for 28 days for evaluating the bioconcentration factor (BCF value) of read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances". Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 100% (The test solution were input analytical equipment directly), Fish: 82.4%, - Limit of quantitation: Test water: 1st concentration area : 21µg/l, 2nd concentration area : 2.1µg/l, Fish: 260 ng/g. Test chemical nominal conc. used for the study were 0.474mg/land 0.0474 mg/l, respectively. Range finding study involve the LC50 (96 hr) > 200 mg/l onRice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt on Cyprinus carpio was determined to be ≤ 0.55 L/Kg at a conc. of 0.474 mg/l and ≤ 5.6 L/Kg at a conc. of 0.0474 mg/l, respectively.

 

Another bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 1,3 -Naphthalenedisulfonic acid, 7 -hydroxy-8 -((4 -sulfo-1 -naphthalenyl)azo)-, trisodium salt (CAS no. 2611 -82 -7) (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using a measured water solubility of 80,000 mg/l and a recommended regression-derived equation. The estimated BCF (bioaccumulation factor) value of 1,3 -Naphthalenedisulfonic acid, 7 -hydroxy-8 -((4 -sulfo-1 -naphthalenyl)azo)-, trisodium salt was determined to be 1.0 dimensionless.

 

For the read across chemical Disodium 3-Hydroxy-2,7-naphthalenedisulfonate (CAS no. 135-51-3), bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of Disodium 3-Hydroxy-2,7-naphthalenedisulfonate (J-CHECK, 2017). Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 1mg/land 0.1 mg/l, respectively. Range finding study involve the TLm (48 hr) ˃ 1000 mg/l (w/v) on Rice fish (Oryzias latipes). The bioconcentration factor (BCF value) of substance Disodium 3-Hydroxy-2,7-naphthalenedisulfonate on Cyprinus carpio was determined to be in the range of 0.2-0.5 L/Kg at a conc. of 1 mg/l and ≤ 2 L/Kg at a conc. of 0.1 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Disodium 3-Hydroxy-2,7-naphthalenedisulfonate is not expected to bioaccumulate in the food chain.

 

On the basis of above results for target chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate (from CompTox Chemistry Dashboard,2017) and for its read across substance (from authoritative database J-CHECK & HSDB, 2017), it can be concluded that the BCF value of test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate was estimated to be 2.29,which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Disodium 8-hydroxynaphthalene-1,6-disulfonate is not expected to bioaccumulate in the food chain.

Adsorption / desorption

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance Disodium 8-hydroxynaphthalene-1,6-disulfonate was estimated to be 296 L/kg (log Koc = 2.471).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance Disodium 8-hydroxynaphthalene-1,6-disulfonate has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.