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Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CASno. 81-42-5) is predicted using OECD QSAR tool box v.3.3using log Kow as primary descriptor. The test chemical 1,4-diamino-2,3-dichloroanthraquinone undergoes 0.125 % degradation by taking BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone it is concluded that this test chemical is not readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5). If released in to the environment, 8.61 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of test chemical 2-methylanisole in sediment is estimated to be 541.66 days (13000 hrs). However, as the percentage release of test chemical into the sediment is less than 3 % (i.e, reported as 2.05 %), indicates that test chemical 1,4-diamino-2,3-dichloroanthraquinone is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No.81-42-5) 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, 89.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 1,4-diamino-2,3-dichloroanthraquinone in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of test chemical 1,4-diamino-2,3-dichloroanthraquinone, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation in aquatic/sediments:

Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor at range pH 1-14  of the chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no.81-42-5) estimated to be 11037 dimensionless. This value indicates that the chemical 1,4-diamino-2,3-dichloroanthraquinone is very bioaccumulative in aquatic organisms as this value exceeds 2000 criteria.

Transport and Distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5) was estimated using EPI suite KOCWIN Program (v2.00) as 3312 L/kg (log Koc= 3.5201) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and therefore have negligible to slow migration potential to ground water.

Additional information

Biodegradation:

Biodegradation in water:

Predicted data for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) and supporting weight of evidence studies for its read across chemicals with log Kow as primary descriptor were review for biodegradation endpoint which are summarized as below.

Biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) is predicted using OECD QSAR tool box v.3.3using log Kow as primary descriptor. The test chemical 1,4-diamino-2,3-dichloroanthraquinone undergoes 0.125 % degradation by taking BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability of test chemical 1,4-diamino-2,3-dichloroanthraquinone it is concluded that this test chemical is not readily biodegradable.

Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 1,4-diamino-2,3-dichloroanthraquinone is expected to be not readily biodegradable.

In a supporting weight of evidence study from authoritative database (J Check, 2017) the Biodegradation experiment was carried out for read across chemical 1-amino-2-bromo-4-hydroxy-9,10-dihydroanthracene-9,10-dione (CAS no.116-82-5) by taking activated sludge as inoculums at 30 mg/L concentration for 28 days. Biodegradation was analyzed by using two parameters that are BOD and test material analysis by HPLC .The initial concentration of read across chemical was 100 mg/L. After 4 weeks of incubation percent biodegradation of read across chemical 1-amino-2-bromo-4-hydroxy-9,10-dihydroanthracene-9,10-dione was observed to be 1.0 % by BOD parameter 0.0 % by test material analysis by HPLC parameter.Therefore it is concluded that read across chemical 1-amino-2-bromo-4-hydroxy-9,10-dihydroanthracene-9,10-dione is not readily biodegradable.

In another supporting weight of evidence study from authoritative database (J Check, 2017) of read across chemical 2,2'-dichloro-4,4'-methylenedianiline (CAS no. 101-14-4) biodegradation test was carried out by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using two parameters that are O2 consumption (BOD) and test material analysis by HPLC. The initial concentration of read across chemical was 100 mg/L and equipment used in study was of standard type. After four weeks (28 days) of incubation read across chemical 2,2'-dichloro-4,4'-methylenedianiline undergoes 0.0 % degradation by O2 consumption (BOD) parameter and 1.0 % degradation by test material analysis by HPLC parameter. Thus based on percent biodegradability it is concluded that read across chemical 2,2'-dichloro-4,4'-methylenedianiline is not readily biodegradable.

On the basisof above results for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) from OECD tool box v.3.3 and EPI suite and for its read across chemicals from authoritative database (J Check, 2017) the target chemical 1,4-diamino-2,3-dichloroanthraquinone is expected to be not readily biodegrdable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5). If released in to the environment, 8.61 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of test chemical 2-methylanisole in sediment is estimated to be 541.66 days (13000 hrs). However, as the percentage release of test chemical into the sediment is less than 3 % (i.e, reported as 2.05 %), indicates that test chemical 1,4-diamino-2,3-dichloroanthraquinone is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No.81-42-5) 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, 89.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 1,4-diamino-2,3-dichloroanthraquinone in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of test chemical 1,4-diamino-2,3-dichloroanthraquinone, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation in aquatic/sediments:

Predicted data for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no.81-42-5) from two different sources were reviewed for bioaccumulation endpoint and their results are summarized below.

In a prediction done by using Bio-concentration Factor module (v12.1.0.50374) of Advanced Chemistry Development/ I lab predictive module the bio-concentration Factor at range pH 1-14 of the chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no.81-42-5) estimated to be 11037 dimensionless. This value indicates that the chemical 1,4-diamino-2,3-dichloroanthraquinone is very bioaccumulative in aquatic organisms as this value exceeds 2000 criteria.

Another prediction done by using SciFinder database of American Chemical Society (ACS, 2017) the Bioconcentration factor (BCF) for test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No: 81-42-5) was predicted in aquatic organisms at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 1,4-diamino-2,3-dichloroanthraquinone at pH 1-10 and temperature 25 °C was estimated to be 4030 dimensionless. This BCF value at pH 1-10 and temperature 25 °C suggests that the test chemical 1,4-diamino-2,3-dichloroanthraquinone is bioaccumulative in aquatic organisms as this value exceeds 2000 criteria.

On the basis of results of both predicted data for target chemical1,4-diamino-2,3-dichloroanthraquinone (CAS no.81-42-5) it is concluded that this test chemical is bioaccumulative in aquatic organisms.

Transport and Distribution:

Adsorption/desorption:

Predicted data for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5) and supporting weight of evidence studies for its read across chemicals were reviewed for adsorption endpoint and their results are summarized below.

 

In a prediction done by using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) the Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5) estimated was 3312 L/kg (log Koc= 3.5201) by means of MCI method at 25 deg. C.

 

Another prediction done by using Adsorption Coefficient module (v12.1.0.50374) program of Advanced Chemistry Development/I-lab predictive module the Soil Adsorption Coefficient i.e Koc value of test substance1,4-diamino-2,3-dichloroanthraquinone (CAS no.81-42-5) was estimated to be Koc 27255 dimensionless (log Koc= 4.4354).

 

Next prediction done by using Sci Finder database of American Chemical Society (ACS, 2017) the soil adsorption co-efficient i.e., Koc value of test chemical1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) was estimated to be 13300 dimensionless ( log Koc = 4.1238) at pH 1-10 at temperature 25 deg.C. This Koc value at entire range of pH condition indicates that the substance1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and sediment.

 

Last prediction done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry, 2017 the soil adsorption co-efficient i.e., Koc value of test substance 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) was estimated to be 7629.95 dimensionless (log Koc= 3.8825) at pH 5.5 and 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical 1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and sediments.

 

In a supporting weight of evidence study from Hazardous Substance Data Bank ( HSDB, 2017) the Koc value for read across chemical 1,4,5,8-tetraamino-9,10-dihydroanthracene-9,10-dione (CAS no.2475-45-8) was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 3200 dimensionless and log Koc is 3.5051 this log Koc value suggests that 1,4,5,8-tetraamino-9,10-dihydroanthracene-9,10-dione is expected to have strong sorption to soil and sediment.

 

In another supporting weight of evidence study from same source as mentioned above ( HSDB, 2017) the Koc value for read across chemical 1-amino-2,4-dibromo-9,10-anthraquinone (CAS no.81-49-2) was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 6600 dimensionless and log Koc is 3.8194 this log Koc value suggests that 1-amino-2,4-dibromo-9,10-anthraquinone is expected to have strong sorption to soil and sediment.

 

On the basis of above results for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) (from EPI suite, ACD lab, Sci Finder, and Chemspider 2017), and for its read across chemical ( From HSDB, 2017) it can be concluded that the Koc value of test substance 1,4-diamino-2,3-dichloroanthraquinone ranges from 3312 to 27255 dimensionless and log koc ranges from 3.5201 to 4.4354 indicating that the test chemical 1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and sediment and therefore have negligible to slow migration potential to groundwater.