Alcohols, C13-15

Endpoint summary

Description of key information

Stability:

Hydrolysis:

In accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the substance Alcohols, C13-15 (CAS no. 90604 -31 -2) is readily biodegradable.

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) was estimated by using OECD QSAR tool box v3.4 by considering seven closest read across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Alcohols, C13-15 was estimated to be 87.77 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Alcohols, C13-15 is readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2018) prediction model was run to predict the half-life in water and sediment for the test compoundAlcohols, C13-15 (CAS No. 90604 -31 -2). If released in to the environment, 20.9 % 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 low whereas the half-life period of test chemical Alcohols, C13-15 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 0.583 %), indicates that test chemical Alcohols, C13-15is not persistent in sediment.

Biodegradation in Soil:

The half-life period of test chemical Alcohols, C13-15 (CAS No. 90604 -31 -2) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2018). If released into the environment, 77 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical Alcohols, C13-15 in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical Alcohols, C13-15, 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: aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for Alcohols, C13-15  (CAS No. 90604-31-2) is 58.06 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Alcohols, C13-15 is non bioaccumulative in food chain.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e. Koc value of test chemical Alcohols, C13-15 (CAS No. 90604-31-2) was estimated using EPI suite(2018) KOCWIN Program (v2.00) as 769.6 L/kg (log Koc= 2.8863) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical Alcohols, C13-15 has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

Additional information

Stability:

Hydrolysis:

In accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the substance Alcohols, C13-15 (CAS no. 90604 -31 -2) is readily biodegradable.

Biodegradation:

Biodegradation in water:

Predicted data studies for target chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) and supporting experimental studies for its structurally similar read across chemicals have been carried out and results are summarized below for biodegradation in water endpoint.

 

In first predicted data study biodegradability of test chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) was estimated by using OECD QSAR tool box v3.4 by considering seven closest read across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Alcohols, C13-15 was estimated to be 87.77 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Alcohols, C13-15 is readily biodegradable.

 

Another study was done by using Estimation Programs Interface Suite (EPI suite, 2018) to estimate the biodegradation potential of the test compound Alcohols, C13-15 (CAS no. 90604 -31 -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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical Alcohols, C13-15 is expected to be readily biodegradable.

 

Next study was experimental study done from authoritative database (J check, 2017) for read across chemical 1-Tridecanol (CAS no. 112-70-9) in this study the test chemical 1-Tridecanol was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD and GC parameters. The initial concentration of read across chemical was 100 mg/L. The study design was of standard type. The read across chemical 1-Tridecanol showed 88.4 % biodegradability by BOD parameter and 100 % by GC parameter and activated sludge as inoculumin14 days. On the basis of percent degradability value it is concluded that read across chemical 1-Tridecanol is readily biodegradable.

 

Another supporting study was also done from authoritative database J check, 2017 for another read across chemical 1-Octanol (CAS no. 111-87-5) in this study the read across chemical 1-Octanol (CAS no. 111-87-5) was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD, TOC and GC parameters. The initial concentration of read across chemical was 100 mg/L. The read across chemical 1-Octanol showed 89 % biodegradation by BOD parameter, 99 % biodegradation by TOC parameter and 100 % by GC parameter by using activated sludge as inoculums in 28 days. On the basis of percent degradability value it is concluded that read across chemical 1-Octanol is readily biodegradable.

 

By considering all the studies mentioned above it can be concluded that test chemical Alcohols, C13-15 (CAS no. 90604 -31 -2) is 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 compoundAlcohols, C13-15 (CAS No. 90604 -31 -2). If released in to the environment, 20.9 % 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 low whereas the half-life period of test chemical Alcohols, C13-15 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 0.583 %), indicates that test chemical Alcohols, C13-15is not persistent in sediment.

Biodegradation in Soil:

The half-life period of test chemical Alcohols, C13-15 (CAS No. 90604 -31 -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, 77 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical Alcohols, C13-15 in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical Alcohols, C13-15, 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: aquatic/sediments:

Predicted data study for target chemical Alcohols, C13-15 (CAS No. 90604-31-2) and experimental studies for its structurally similar red across chemical have been conducted and their results are summarized below for bioaccumulation endpoint.

 

In first study prediction was done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2018) the estimated bio concentration factor (BCF) for Alcohols, C13-15  (CAS No. 90604-31-2) is 58.06 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical Alcohols, C13-15 is non bioaccumulative in food chain.

 

Next study was experimental study done from authoritative database (HSDB, 2017) in this study the BCF value of read across chemical 1-Nonanol (CAS no. 143-08-8) estimated was 160 dimensionless by using log Kow of 3.77 and regression derived equation and it is far less than 2000 criteria therefore it is concluded that read across chemical 1-Nonanol is non bioaccumulative.

 

Another experimental study was also done from authoritative database (HSDB, 2017) in this study the BCF value of another read across chemical 1-Nonene (CAS no. 121-11-8) estimated was 1843 dimensionless by using log Kow of 5.15 and regression derived equation and it is less than 2000 criteria therefore it is concluded that read across chemical 1-Nonene is non bioaccumulative.

 

By compiling results of all the studies mentioned above it can be concluded that test chemical Alcohols, C13-15 (CAS No. 90604-31-2) is non bioaccumulative in nature.

Transport and distribution:

Adsorption/desorption:

Predicted data study for target chemical Alcohols, C13-15 (CAS No. 90604-31-2) and experimental studies for its structurally similar red across chemical have been conducted and their results are summarized below for adsorption/ desorption endpoint.

 

In a predicted data study the Soil Adsorption Coefficient i.e. Koc value of test chemical Alcohols, C13-15 (CAS No. 90604-31-2) was estimated using Estimation Program Interface (EPI suite, 2018) KOCWIN Program (v2.00) as 769.6 L/kg (log Koc= 2.8863) by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical Alcohols, C13-15 has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

 

Next study was experimental study done from authoritative database (HSDB, 2017) in this study the Koc value for read across chemical 1-Nonanol (CAS no.143-08-8) is estimated by using water solubility of 140 mg/L and regression derived equation. The estimated Koc value is 290 dimensionless and log Koc is 2.4623 this log Koc value suggests that read across chemical 1-Nonanol is expected to have moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

 

Another experimental study was also done from authoritative database (HSDB, 2017) in this study the Koc value for read across chemical 1-Nonene (CAS no.124-11-8) is estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value is 935 dimensionless and log Koc is 2.9708 this log Koc value suggests that 1-Nonene is expected to have moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

 

By compiling results of all the studies mentioned above it can be concluded that test chemical Alcohols, C13-15 (CAS No. 90604-31-2) has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.