Registration Dossier

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Hydrolysis

According to Annex VIII, column 2 of the REACH regulation a study on hydrolysis as a function of pH ‘does not need to be conducted as the substance 2-furoic acid is found to be readily biodegradable, therefore this study was considered for waiver.

Biodegradation

Biodegradation in water

Biodegradability of 2-furoic acid (CAS No. 88-14-2) is predicted using OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor. Test substance undergoes 84 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 2-furoic acid (CAS No. 88-14-2) was estimated to be 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 2-furoic acid (CAS No.88-14-2). If released in to the environment,  36.2 % 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 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 2-furoic acid in sediment is estimated to be 135 days (3240  hrs). However, as the percentage release of 2-furoic acid into the sediment is less than 1% (i.e, reported as 0.0801 %), indicates that test chemical is not persistent in sediment.

 

Biodegradation in soil

The half-life period 2-furoic acid (CAS No.  88-14-2) 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, 62.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical, 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

Bioaccumulation: aquatic / sediment

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of 2-furoic acid (CAS No. 88-14-2). The bioconcentration factor (BCF) of 2-furoic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the 2-furoic acid is not expected to bioaccumulate in the food chain

Transport and distribution

Adsorption / desorption

The soil adsorption coefficient i.e Koc value of 2-furoic acid (CAS No.  88-14-2) was estimated to be 9.083 L/kg (log Koc = 0.9582) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-furoic acid has a negligible of sorption to soil and sediment and show rapid migration to groundwater.

Additional information

Biodegradation

Biodegradation in water

Following different studies includes predicted data and experimental study for the target chemical and the structurally similar read across to conclude the biodegradation in water of2-furoic acid (CAS No. 88-14-2)in environment.

Biodegradability of 2-furoic acid (CAS No. 88-14-2) is predicted using OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor. Test substance undergoes 84 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 2-furoic acid (CAS No. 88-14-2) was estimated to be readily biodegradable in water.

Similar prediction is done by using the Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the2-furoic acid(CAS no.88 -14 -2) 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 that2-furoic acidis expected to be readily biodegradable.

The predicted data of target chemical is supported by the experimental study ofstructurally similar read across2-furaldehyde (CAS: 98-01-1) from the publication Ecotoxicology and Environmental Safety 1980 suggests that the Biodegradation in water of 2-furaldehyde a test was carried out according to the OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)) 2-furaldehyde is considered to be readily biodegradable. After 14 days (120 h) the biodegradation was a maximum of 93.5 %.

Similar experimental study from anothe structurally similar read across fufuryl alcohol (CAS: 98 -00 -0) from the publication Water Research 1976, also suggests that the Experiment was carried out on the basis of rate of biological degradation of Furfuryl alcohol with respect to the decrease of organic substance in terms of COD. The Furfuryl alcohol is concluded to be biodegradable. After 5 days (120 h) the biodegradation was a maximum of 97.3%.

On the basis of above results for target chemical 2-furoic acid (CAS No.  88-14-2) (from EPI suite, QSAR) and for its read across chemical (from publications) it can be concluded that the chemical 2-furoic acid (CAS No.  88-14-2) is 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 2-furoic acid (CAS No.88-14-2). If released in to the environment,  36.2 % 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 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 2-furoic acid in sediment is estimated to be 135 days (3240  hrs). However, as the percentage release of 2-furoic acid into the sediment is less than 1% (i.e, reported as 0.0801 %), indicates that test chemical is not persistent in sediment.

 

Biodegradation in soil

The half-life period 2-furoic acid (CAS No.  88-14-2) 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, 62.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical, 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

Bioaccumulation: aquatic / sediment

Following different studies includes predicted data for the target chemical to conclude the bioaccumulation of2-furoic acid (CAS No. 88-14-2)in environment is summariezed below:

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of 2-furoic acid (CAS No. 88-14-2). The bioconcentration factor (BCF) of 2-furoic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the 2-furoic acid is not expected to bioaccumulate in the food chain.

Similar estimated data from ACD (Advanced Chemistry Development)/I-Lab predictive module.Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor over the entire pH scale (pH 0 -14) of the test substance2-furoic acid (CAS: 88-14-2)was estimated to be in a range of 1 -1.79. This value indicates that the test substance2-furoic acid (CAS: 88-14-2)was considered to be non-accumulative in aquatic organisms.

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 substance2-furoic acid (CAS No.  88-14-2)was estimated to be4.42dimensionless.The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance2-furoic acid (CAS No.  88-14-2)is non-bioaccumulative in nature.

On the basis of above results for target chemical 2-furoic acid (CAS No.  88-14-2) (from EPI suite, ACD LABC, COMPTOX) it can be concluded that the chemical 2-furoic acid (CAS No.  88-14-2) is non-bioaccumulative in nature.

Transport and distribution

Adsorption / desorption

Following different studies includes predicted data and experimental study for the target chemical and the structurally similar read across to conclude the adsorption/desorption of2-furoic acid (CAS No. 88-14-2)in environment is summariezed below:

Estimated data generated using the EPI Suite model developed by the USEPA.The soil adsorption coefficient i.e Koc value of 2-furoic acid (CAS No.  88-14-2) was estimated to be 9.083 L/kg (log Koc = 0.9582) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-furoic acid has a negligible of sorption to soil and sediment and show rapid migration to groundwater.

Similar estimated data for the target chemical from ACD (Advanced Chemistry Development)/I-Lab predictive module.The Soil Adsorption Coefficient i.e Koc value of test substance 2-furoic acid (CAS No.  88-14-2) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc-6.76 - 52.8 (log Koc=0.8 ± 1.0-1.7 ± 1.0).. This Koc value indicates that the 2-furoic acid has a low to negligible sorption to soil and therefore have moderate to rapid migration potential to groundwater.

Another supporting estmated data for the target chemical 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 2-furoic acid was estimated to be 41.2 L/kg .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 2-furoic acid is mobile in soil.

The estimated data for the target chemical is supported by the experimental study ofstructurally similar read across

2-furaldehyde (CAS: 98-01-1) from different handbooks and publications suggests that The Koc of 2-furaldehyde is estimated as 40 , using a log Kow of 0.41(1) and a regression-derived equation. According to a classification scheme, this estimated Koc value suggests that 2-furaldehyde is expected to have very high mobility in soil.

Further it is supported by another experimental study ofstructurally similar read acrossFurfuryl alcohol (CAS: 98-00-0) from handbooks and publications indicates that The Koc of furfuryl alcohol is estimated as 34, using a log Kow of 0.28 and a regression-derived equation. According to a classification scheme, this estimated Koc value suggests that furfuryl alcohol is expected to have very high mobility in soil. The pKa of furfuryl alcohol is 9.55, indicating that this compound will primarily exist in its neutral form in the environment.

On the basis of above results for target chemical 2-furoic acid (CAS No.  88-14-2) (from EPI suite, ACD LABC, COMPTOX) and for its read across chemical (from handbooks and publications) it can be concluded that the chemical 2-furoic acid (CAS No.  88-14-2) shows negligible of sorption to soil and sediment and show rapid migration to groundwater.