4-(2-aminoethyl)phenol

Endpoint summary

Description of key information

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 4-(2-Aminoethyl)phenol is readily biodegradable.

Biodegradation in water

Biodegradation study was conducted for evaluating the percentage biodegradability of test substance 4-(2-Aminoethyl)phenol (CAS no. 51-67-2) (S. Callejón, et. al; 2014). The study was performed at a temperature of28⁰C and pH 5.5, respectively. Test bacterial culture was isolated from winemaking process and from other habitats, etc. The test culture was obtained fromENOLAB collection, Spanish Type Culture Collection (CECT) and to the Reference Center for Lactobacilli (CERELA, Tucumán, Argentina).All strains were routinely grown overnight at 28 °C on modified MRS medium supplemented with L-cysteine 0.5 g/L and biogenic amines (Bas) (histamine, tyramine, and putrescine) at 10 mg/L each. Initial test substance concentration used for the study was150 mg/l, respectively.A volume of 100μL of culture grown overnight on MRS supplemented with L-cysteine and BAs was used to inoculate the medium described with some modifications: 0.15 g/L of histamine, tyramine, and putrescine were added separately to the medium and the pH was adjusted to 5.5. After 48-h incubation at 28 °C, the reaction was stopped by adding1 M HCl. Then, samples were centrifuged at 13,500 rpm for5min and filtered through 0.22-μmnylonmembranes (Fisher). Amine concentrations were measured by HPLC in an Agilent 1200SL HPLC system. The HPLC system was equipped with an in-line degasser, auto-sampler, column heater, and a fluorescence detector. Chromatographic separation was performed on HPLC Luna C18 silica Phenomenex column (250×4.6 mm) with a guard column (20×4.6 mm) of the same type. A solution of methanol was used as mobile phase A and a solution of 140 mM sodium acetate trihydrate and 17 mM TEA adjusted to pH 5.05 as mobile phase B. Gradient conditions used for separation were described by Hernández-Orte et al.(2006). A sample volume of 10μL was buffered with 25μL of a solution containing 0.2 M sodium borate buffer (pH8.8) and 5 mM disodium EDTA. The derivatization reaction was performed by adding 15μL of 6-aminoquinolyl-Nhydroxysuccinimidyl carbamate (AQC solution Waters). Excitation and emission wavelengths of the fluorescence detector were set at 250 and 395 mm, respectively. A volume of 5μL of the derivatized sample was injected into HPLC system. HPLC column temperature was kept at 65 °C. Flow rate was set at 2 mL/min. Total elution time was 70 min. Degradation ratio relative to the uninoculated medium was calculated after 48 h of incubation.The percentage degradation of test substance4-(2-Aminoethyl)phenolwas determined to be 6.3, 33.7, 33, 41.7, 42.9, 39, 8.6 and 40% degradation by using inoculumsL. delbrueckii CECT 286,L. farciminis CRL 678,L. plantarum ENOLAB J16,L. plantarum ENOLAB Lb 98,L. plantarum ENOLAB Lb 132,L. plantarum ENOLAB Lb 291,L. plantarum ENOLAB Lb 140 andP. acidilactici CECT 5930, respectively after a period of 48 hrs. Thus, based on percentage degradation (42.9% in 48 hrs),4-(2-Aminoethyl)phenolis considered to be readily biodegradable in water.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2018) prediction model was run to predict the half-life in water and sediment for the test compound 4-(2-aminoethyl) phenol (CAS No. 51 -67 -2). If released in to the environment, 16.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4-(2-aminoethyl) phenol 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 4-(2-aminoethyl) phenol 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 0.399%), indicates that 4-(2-aminoethyl) phenol is not persistent in sediment.

 

Biodegradation in soil

The half-life period of 4-(2-aminoethyl) phenol (CAS No. 51 -67 -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, 83.1% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 4-(2-aminoethyl) phenol in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 4-(2-aminoethyl) phenol, 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

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the bioconcentration factor (BCF) of test chemical 4-(2-aminoethyl) phenol (CAS No. 51 -67 -2). The bioconcentration factor (BCF) of 4-(2-aminoethyl) phenol was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 4-(2-aminoethyl) phenol is not expected to bioaccumulate in the food chain.

Adsorption / desorption

Adsorption study was conducted for determining the adsorption capacity of test chemical 4-(2-Aminoethyl)phenol (CAS no. 51-67-2) on the surface of albumin-modified silica

(N. N. Vlasova, et. al; 2011). Albumin-modified finely dispersed silica samples were prepared via protein adsorption from an aqueous solution. BSA (6 g) was dissolved in water (500 ml), finely dispersed silica (10 g) was added, the system was stirred, and pH was brought to 5. In 1 h, the obtained suspension was centrifuged and silica was separated, washed three times with water, filtered off, and dried at room temperature.In the residual equilibrium solution and the filtrates, the concentration of albumin was determined based on an UV absorption band (λ= 268 nm) using the calibration plot constructed preliminarily. In this way, a silica sample was obtained with an albumin content of 430 mg/g sorbent (300 mg protein per 1 g sample). Tyramine adsorption was studied at room temperature (20±2°С). Amine solutions (10 ml, 1 mmol/l) were added to weighed portions of protein-containing silica (0.1 g) and the pH values of the systems were brought to desired values in the range of 2–8. The samples were stirred for 1 h (as was shown previously, this time is sufficient for the adsorption equilibrium to be established), with the pH values being repeatedly controlled using an EV-74 pH meter. After centrifugation (8000 rpm, 20 min), silica was separated and amine concentrations were determined on a Specord M-40 spectrophotometer. The UV absorption spectra of both amines were preliminarily studied depending on the concentration and pH of their solutions. It was found that, for tyramine, the positions and intensities of absorption bands are independent of pH; for tyramine,λmax= 275 nm,ε= 1560 (l mol–1 cm–1). The absorption bands of the amines almost coincide with the absorption spectrum of BSA; therefore, the equilibrium concentrations of the amines were determined from their absorption band intensities, which were estimated by subtracting the absorption corresponding to the concentration of the protein desorbed into a solution at a given pH. The adsorption values of amines were determined from the difference between the initial and equilibrium concentrations and expressed in percents.The adsorption values calculated from the difference between the initial and equilibrium concentrations were expressed in mmol/g.The adsorption constant value was calculated using the Langmuir equation. The maximum adsorption value of test chemical 4-(2-Aminoethyl)phenolon finely dispersed silica and albumin-modified finely dispersed silica was determined to be 0.20 & 0.23 mmol/g, respectively and percentage adsorption of chemical 4-(2-Aminoethyl)phenolat pH 7.0 and a temperature of 20 ± 2⁰C was determined to be approx. 5 and 25%, respectively. Thus based on the %adsorption, it indicates that the substance 4-(2-Aminoethyl)phenol has a negligible to low sorption tosoil and sediment and therefore have rapid to moderate migration potential to ground water.

Additional information

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 4-(2-Aminoethyl)phenol is readily biodegradable.

Biodegradation in water

Various experimental key and supporting studies for the target compound 4 -(2 -Aminoethyl)phenol (CAS No. 51-67-2) and supporting study for its structurally similar read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In an experimental key study from peer reviewed journal (S. Callejón, et. al; 2014),biodegradation study was conducted for evaluating the percentage biodegradability of test substance 4-(2-Aminoethyl)phenol (CAS no. 51-67-2). The study was performed at a temperature of28⁰C and pH 5.5, respectively. Test bacterial culture was isolated from winemaking process and from other habitats, etc. The test culture was obtained from ENOLAB collection, Spanish Type Culture Collection (CECT) and to the Reference Center for Lactobacilli (CERELA, Tucumán, Argentina).All strains were routinely grown overnight at 28 °C on modified MRS medium supplemented with L-cysteine 0.5 g/L and biogenic amines (Bas) (histamine, tyramine, and putrescine) at 10 mg/L each. Initial test substance concentration used for the study was150 mg/l, respectively. A volume of 100μL of culture grown overnight on MRS supplemented with L-cysteine and BAs was used to inoculate the medium described with some modifications: 0.15 g/L of histamine, tyramine, and putrescine were added separately to the medium and the pH was adjusted to 5.5. After 48-h incubation at 28 °C, the reaction was stopped by adding1 M HCl. Then, samples were centrifuged at 13,500 rpm for5min and filtered through 0.22-μmnylonmembranes (Fisher). Amine concentrations were measured by HPLC in an Agilent 1200SL HPLC system. The HPLC system was equipped with an in-line degasser, auto-sampler, column heater, and a fluorescence detector. Chromatographic separation was performed on HPLC Luna C18 silica Phenomenex column (250×4.6 mm) with a guard column (20×4.6 mm) of the same type. A solution of methanol was used as mobile phase A and a solution of 140 mM sodium acetate trihydrate and 17 mM TEA adjusted to pH 5.05 as mobile phase B. Gradient conditions used for separation were described by Hernández-Orte et al.(2006). A sample volume of 10μL was buffered with 25μL of a solution containing 0.2 M sodium borate buffer (pH8.8) and 5 mM disodium EDTA. The derivatization reaction was performed by adding 15μL of 6-aminoquinolyl-Nhydroxysuccinimidyl carbamate (AQC solution Waters). Excitation and emission wavelengths of the fluorescence detector were set at 250 and 395 mm, respectively. A volume of 5μL of the derivatized sample was injected into HPLC system. HPLC column temperature was kept at 65 °C. Flow rate was set at 2 mL/min. Total elution time was 70 min. Degradation ratio relative to the uninoculated medium was calculated after 48 h of incubation. The percentage degradation of test substance4-(2-Aminoethyl)phenol was determined to be 6.3, 33.7, 33, 41.7, 42.9, 39, 8.6 and 40% degradation by using inoculums L. delbrueckii CECT 286,L. farciminis CRL 678,L. plantarum ENOLAB J16,L. plantarum ENOLAB Lb 98,L. plantarum ENOLAB Lb 132,L. plantarum ENOLAB Lb 291,L. plantarum ENOLAB Lb 140 and P. acidilactici CECT 5930, respectively after a period of 48 hrs. Thus, based on percentage degradation (42.9% in 48 hrs),4-(2-Aminoethyl)phenolis considered to be readily biodegradable in water.

 

Another biodegradation study was conducted for evaluating the percentage biodegradability of test substance 4-(2-Aminoethyl)phenol (CAS no. 51-67-2) by using various lactic acid bacterial strains as the test inoculum(Almudena García-Ruiz, et. al; 2011). The study was performed at a temperature of30⁰C and pH 5.5, respectively.A total of 85 LAB, includingOenococcus oeni(42 strains),Pediococcus parvulus(7 strains),P. pentosaceus(4 strains),Lactobacillusplantarum(6 strains),L. hilgardii(9 strains),L. zeae(3 strains),L. casei(7 strains),L. paracasei(5 strains) and Leuconostoc mesenteroides (2 strains) were used in this study. Test cultures can also be isolated in our laboratory from musts and wines (young, wood-aged and biologically aged sherry wines) and from winemaking products (fermentation lees) over an 8-year period and properly identified by 16S rRNA partial gene sequencing.The LAB strains belong to the bacterial culture collection of the Institute of Industrial Fermentations (IFI), CSIC, Spain.Test inoculum was cultivated for 24–48 h.The media MLO (pH 4.8) was used as a culture medium for the study. These bacteria werecultivated for 3–4 days. All bacteria were incubated at 30 °C.The strains were kept frozen at−70 °C in a sterilized mixture of culture medium and glycerol (50:50, v/v).Initial test substance concentration used for the study was150 mg/l, respectively.The ability of wine LAB strains to degrade the biogenic amine tyramine was tested in a model system. The broth consisted of MRS or MLO added separately of 0.15 g/L of tyramineand adjusted to pH 5.5.LAB strains were incubated at 30 °C in this model system in duplicateand on at least two different days. Samples were taken at time 0 andafter 48 (LAB nonO. oeni)–72 (O. oeni) hours of incubation.Biogenic amines were analyzed by reversed-phase (RP)-HPLC. Briefly, a liquid chromatograph consisting of a Waters 600 controller programmable solvent module, a WISP 710B autosampler (Waters, Milford, MA, USA) and an HP 1046-Afluorescence detector (Hewlett Packard) were used. Chromatographic data were collected and analyzed with a Millenium 32 system. The separations were performed on a Waters Nova-Pak C18 (150×3.9 mm i.d., 60 Å, 4μm) column, with a matching guard cartridge of the same type. Samples were submitted to an automatic precolumn derivatization reaction witho-phthaldialdehyde (OPA) prior to injection. Derivatized amines were detected using the fluorescence detector (excitation wavelength of 340 nm, and emission wavelength of 425 nm). Samples were previously filtered through Milliporefilters (0.45μm) and then directly injected in duplicate into the HPLC system. All reagents used were HPLC grade.Cell cultures of 85 strains representing 9 species of wine LAB were investigated for their potential to degrade/eliminate tyramine the major biogenic amines present in wines.. Out of 9 strains, 6 of them were able to degrade tyramine. The strain L. caseiI FI-CA 52, exhibited the greatest potential tyramine degradation (55%), respectively. The percentage degradation of test substance4-(2-Aminoethyl)phenolwas determined to be 55, 17, 15, 12, 22 and 54% degradation by using inoculum L. casei IFI-CA 52,L. plantarum IFI-CA 54,P. parvulus IFI-CA 31, P. pentosaceus IFI-CA 30,P. pentosaceus IFI-CA 83 and P. pentosaceus IFI-CA 86, respectively after a period of 48 hrs. Thus, based on percentage degradation (55% in 48 hrs),4-(2-Aminoethyl)phenolis considered to be readily biodegradable in nature.

 

In a supporting study, biodegradation experiment was conducted for evaluating the percentage biodegradability of test substance 4-(2-Aminoethyl)phenol (CAS no. 51-7-2) by using Brevibacterium linens LTH 456 and LTH 3686as the test inoculums. B. linens was grown on a medium composed of (all wtlvol) tryptone (0.1%), yeast extract (0.05%) , NaCI (0.05%), and glucose (0.01%). The pH was adjusted to 7.2. Cultures were aerobically grown at 30°C. The growth was followed with a spectrophotometer (DU-64, Beckman Instruments, Munich, Germany) at 578 nm and viable counts were determined on the medium described above solidified with 1.5% agar. Initial test substance conc. used for the study was79.56 mg/l (0.58 mM).Cells of B. linens LTH 456 and LTH 3686 were harvested in the middle and at the end of the exponential growth phase, washed once with 0.05 M phosphate buffer (pH 7 adjusted before autoclaving), resuspended in a buffer at pH 7 supplemented with histamine (0.54 mM) and tyramine (0.58 mM) and incubated at 30°C for 28 to 38 h. The cell concentration was adjusted to OD578=10 spectrophotometrically (Spectrophotometer DU-64).In an amine-buffer system, the amine degradation by cells in the exponential growth phase was higher than that by the stationary-phase cells. The percentage degradation of test substance 4-(2-Aminoethyl)phenol was determined to be approx. 60 and 100% by using inoculum B. linens LTH 456 and 3686in 30 & 35 hrs, respectively. Thus, based on percentage degradation, 4-(2-Aminoethyl)phenol is considered to be readily biodegradable in nature.

 

For the read across chemical 2-phenylethylamine (CAS no. 64-04-0) from authoritative database (J-CHECK & HSDB, 2017 and EnviChem, 2014), biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance 2 -phenylethylamine (CAS no. 64 -04 -0). The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I) under aerobic conditions. Activated sludge was used as a test inoculums for the study. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of test substance 2 -phenylethylamine was determined to be 58, 81, 99 and 95% by BOD(NO2), BOD(NH3), TOC removal and UV-Vis parameter in 14 days. Thus, based on percentage degradation, 2 -phenylethylamine is considered to be readily biodegradable in nature.

 

On the basis of above results for target chemical 4-(2-Aminoethyl)phenol (from peer reviewed journals), and for its read across substance (from authoritative database J-CHECK, HSDB and EnviChem), it can be concluded that the test substance 4-(2-Aminoethyl)phenol can be expected to be readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2018) prediction model was run to predict the half-life in water and sediment for the test compound 4-(2-aminoethyl) phenol (CAS No. 51 -67 -2). If released in to the environment, 16.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4-(2-aminoethyl) phenol 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 4-(2-aminoethyl) phenol 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 0.399%), indicates that 4-(2-aminoethyl) phenol is not persistent in sediment.

 

Biodegradation in soil

The half-life period of 4-(2-aminoethyl) phenol (CAS No. 51 -67 -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, 83.1% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 4-(2-aminoethyl) phenol in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 4-(2-aminoethyl) phenol, 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 substance 4 -(2 -Aminoethyl)phenol can be considered to be readily biodegradable in nature.

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 4 -(2 -Aminoethyl)phenol (CAS No. 51 -67 -2) and supporting weight of evidence studies for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the bioconcentration factor (BCF) of test chemical 4-(2-aminoethyl) phenol (CAS No. 51 -67 -2). The bioconcentration factor (BCF) of 4-(2-aminoethyl) phenol was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).

 

In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBio-concentration Factor (BCF) over the entire pH scale of the test substance 4-(2-aminoethyl) phenol (CAS no. 51 -67 -2) was estimated to be 1.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 4-(2-aminoethyl) phenol (CAS No. 51 -67 -2). The bioconcentration factor (BCF) of 4-(2-aminoethyl) phenol was estimated to be 1 at pH range 1-10, respectively (at 25 deg C).

 

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 4-(2-aminoethyl) phenol was estimated to be 7.62 dimensionless . The predicted BCF result based on the 5 OECD principles.

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical 2-phenylethylamine (CAS no. 64-04-0),the bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 2-phenylethylamine (CAS no. 64-04-0). The bioaccumulation factor (BCF) value was calculated using a logKow of 1.41 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of 2 -phenylethylamine was determined to be 2.4 dimensionless.

 

For the read across chemical p-cresol (CAS no. 106-44-5), bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical p-cresol (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using a logKow of 1.94 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of p-cresol was determined to be 9.0 dimensionless.

 

On the basis of above results for target chemical 4-(2-Aminoethyl)phenol (from EPI suite, ACD labs,SciFinder database and CompTox Chemistry Dashboard,  2017) and for its read across substance (from authoritative database HSDB), it can be concluded that the BCF value of test substance 4-(2-Aminoethyl)phenol ranges from 1 – 7.62 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-(2-Aminoethyl)phenol is not expected to bioaccumulate in the food chain.

Adsorption / desorption

Various experimental key and supporting study for the target compound4-(2-Aminoethyl)phenol(CAS No. 51-67-2) and supporting study for its structurally similar read across substance were reviewed for the adsorption end point which are summarized as below:

 

In an experimental key study from peer reviewed journal (N. N. Vlasova, et. al; 2011),adsorption experiment was conducted for determining the adsorption capacity of test chemical 4-(2-Aminoethyl)phenol (CAS no. 51-67-2) on the surface of albumin-modified silica. Albumin-modified finely dispersed silica samples were prepared via protein adsorption from an aqueous solution. BSA (6 g) was dissolved in water (500 ml), finely dispersed silica (10 g) was added, the system was stirred, and pH was brought to 5. In 1 h, the obtained suspension was centrifuged and silica was separated, washed three times with water, filtered off, and dried at room temperature.In the residual equilibrium solution and the filtrates, the concentration of albumin was determined based on an UV absorption band (λ= 268 nm) using the calibration plot constructed preliminarily. In this way, a silica sample was obtained with an albumin content of 430 mg/g sorbent (300 mg protein per 1 g sample). Tyramine adsorption was studied at room temperature (20±2°С). Amine solutions (10 ml, 1 mmol/l) were added to weighed portions of protein-containing silica (0.1 g) and the pH values of the systems were brought to desired values in the range of 2–8. The samples were stirred for 1 h (as was shown previously, this time is sufficient for the adsorption equilibrium to be established), with the pH values being repeatedly controlled using an EV-74 pH meter. After centrifugation (8000 rpm, 20 min), silica was separated and amine concentrations were determined on a Specord M-40 spectrophotometer. The UV absorption spectra of both amines were preliminarily studied depending on the concentration and pH of their solutions. It was found that, for tyramine, the positions and intensities of absorption bands are independent of pH; for tyramine,λmax= 275 nm,ε= 1560 (l mol–1 cm–1). The absorption bands of the amines almost coincide with the absorption spectrum of BSA; therefore, the equilibrium concentrations of the amines were determined from their absorption band intensities, which were estimated by subtracting the absorption corresponding to the concentration of the protein desorbed into a solution at a given pH. The adsorption values of amines were determined from the difference between the initial and equilibrium concentrations and expressed in percents.The adsorption values calculated from the difference between the initial and equilibrium concentrations were expressed in mmol/g.The adsorption constant value was calculated using the Langmuir equation. The maximum adsorption value of test chemical 4-(2-Aminoethyl)phenolon finely dispersed silica and albumin-modified finely dispersed silica was determined to be 0.20 & 0.23 mmol/g, respectively and percentage adsorption of chemical 4-(2-Aminoethyl)phenolat pH 7.0 and a temperature of 20 ± 2⁰C was determined to be approx. 5 and 25%, respectively. Thus based on the %adsorption, it indicates that the substance 4-(2-Aminoethyl)phenol has a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.

 

Another adsorption study was conducted for determining the adsorption capacity of test chemical4-(2-Aminoethyl)phenol (CAS no. 51-67-2) on the surface of highly dispersed silica. The adsorption of biogenic amines was studied at room temperature (20±2°C). Mix equal volumes of initial silica suspension (20 g/l) prepared in the presence of 0.002 or 0.02 M sodium chloride, and 1 mM amine solutions so that concentrations of silica and amines in prepared suspensions were 10 g/l and 0.5 mM, respectively, and their ionic strength was 0.001 or 0.01. Then, suspension samples (10 ml) were taken, their pH was adjusted to the required pH values within the pH 4–8 range by adding alkali or acid solutions, and were stirred for 1 h. It was established preliminarily that this time is sufficient to attain an equilibrium adsorption. The values of suspension pH were checked periodically (with an EV-74 ionomer). After centrifugation (8000 rpm, 20 min), silica was separated and amine concentration was determined on a Specord M-40 spectrophotometer (Germany). The values of adsorption were calculated by the difference between final and equilibrium concentrations. Preliminarily, we measured absorption spectra of amines in the UV region as a function of the concentration and pH of their aqueous solutions. It was found that, for tyramine, the positions of absorption bands and intensities are almost identical of pH; for tyramine, λmax= 275 nm,ε= 1560 (l mol–1 cm–1).The percentage adsorption of chemical 4-(2-Aminoethyl)phenol on highly dispersed silica at pH 7.0 and a temperature of 20 ± 2⁰C was determined to be approx. 8%, respectively. Thus based on the %adsorption, it indicates that the substance 4-(2-Aminoethyl)phenol has a low sorption to soil and sediment and therefore have rapid migration potential to ground water.

 

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical p-cresol (CAS no. 106-44-5),adsorption experiment was conducted in a brookston clay loam soil for determining the adsorption coefficient (Koc) value of read across chemical p-cresol (CAS no. 106-44-5) using the Batch Equilibrium Method. The study was performed according to OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method). The adsorption coefficient (Koc) value of test substance p-cresol was determined to be 49 (Log Koc = 1.69). This Koc value indicates that the substance p-cresol has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

On the basis of above overall results for target chemical4-(2-Aminoethyl)phenol(from peer reviewed journals) and for its read across substance (from authoritative database HSDB), it can be concluded that the test substance4-(2-Aminoethyl)phenolhas a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.