Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Data is from authoritative databases and secondary source

Qualifier:

according to guideline

Guideline:

OECD Guideline 305 (Bioconcentration: Flow-through Fish Test)

Qualifier:

according to guideline

Guideline:

other: "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances"

Principles of method if other than guideline:

Bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of chemical calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate. The study was performed according to OECD Guideline 305 (Bioconcentration: Flow-through Fish Test) and other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of the test material (IUPAC Name): Calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate- Common Name: D & C Red no. 7, C. I. Pigment 57:1- InChI: 1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;- Smiles: c12c(c(c(C(=O)[O-])cc1cccc2)O)\N=N\c1c(cc(C)cc1)S(=O)(=O)[O-].[Ca+2]- Molecular formula : C18H12CaN2O6S- Molecular weight : 424.445 g/mol- Substance type: Organic- Physical state: Solid- Purity: 98%

Radiolabelling:

not specified

Vehicle:

yes

Details on preparation of test solutions, spiked fish food or sediment:

PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances) - Chemical name of vehicle: HCO-40, Crystal sugar, - Concentration of vehicle: 1st Concentration area: HCO-40 6 mg/L, Crystal sugar 6 mg/L, 2nd Concentration area: HCO-40 0.6 mg/L, Crystal sugar 0.6 mg/L

Test organisms (species):

Cyprinus carpio

Details on test organisms:

TEST ORGANISM- Common name: Carp - Length at study initiation (lenght definition, mean, range and SD): 8 - Sex: MF

Route of exposure:

aqueous

Test type:

flow-through

Water / sediment media type:

natural water: freshwater

Total exposure / uptake duration:

6 wk

Test temperature:

25°C

pH:

6.0-8.5

Details on test conditions:

RANGE-FINDING / PRELIMINARY STUDY- Test concentrations: LC50(48h) >= 50.0 mg/L, Rice fish (Oryzias latipes)

Nominal and measured concentrations:

Nominal concentrations: 1st concentration area: 0.3mg/l 2nd concentration area: 0.03 mg/l

Reference substance (positive control):

not specified

Lipid content:

3.7 %

Time point:

start of exposure

Key result

Conc. / dose:

0.3 mg/L

Temp.:

25 °C

Type:

BCF

Value:

> 0.7 - < 1.8 L/kg

Basis:

total lipid content

Time of plateau:

6 wk

Remarks on result:

other: BCF = ≤ 0.7-1.8 L/Kg

Key result

Conc. / dose:

0.03 mg/L

Temp.:

25 °C

Type:

BCF

Value:

<= 6.9 L/kg

Basis:

total lipid content

Time of plateau:

6 wk

Remarks on result:

other: Other details not known

Bioaccumulation test results:

 

		2 W	3 W	4 W	6 W
1st Concentration area	Test substance concentration  (mg/l)	0.243	0.260	0.258	0.259
	Bioconcentration  factor (L/kg)	≤ 0.7	≤ 0.7	≤ 0.7	≤ 0.7
		≤ 0.7	1.8	≤ 0.7	≤ 0.7
2nd Concentration area	Test substance concentration (mg/l)	0.0242	0.0260	0.0259	0.0261
	Bioconcentration  factor (L/kg)	≤ 6.9	≤ 6.9	≤ 6.9	≤ 6.9
		≤ 6.9	≤ 6.9	≤ 6.9	≤ 6.9

Validity criteria fulfilled:

not specified

Conclusions:

The bioconcentration factor (BCF value) of substance calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate on Cyprinus carpio was determined to be in the range of ≤ 0.7-1.8 L/Kg at a conc. of 0.3 mg/l and ≤ 6.9 L/Kg at a conc. of 0.03 mg/l, respectively.

Executive summary:

Bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of chemical calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate (CAS no. 5281-04-9).The study was performed according to OECD Guideline 305 (Bioconcentration: Flow-through Fish Test)andother guideline"Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively under flow through conditions at a temperature of 25°C and pH range 6.0-8.5, respectively. Cyprinus carpio (length - 8 dimensionless) was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.3mg/l and 0.03 mg/l, respectively.Test chemical solution was prepared in HCO-40 and Crystal sugar.Analytical method involve therecovery ratio:Fish : 79.6 %, - Limit of quantitation : Test water : 1st concentration area : 0.017 microg/mL, 2nd concentration area : 0.00 microg/mL, Fish : 0.18 microg/g. Range finding study involve theLC50(48h) >= 50.0 mg/Lon Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate on Cyprinus carpio was determined to be in the range of ≤ 0.7 -1.8 L/Kg at a conc. of 0.3 mg/l and ≤ 6.9 L/Kg at a conc. of 0.03 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate is not expected to bioaccumulate in the food chain.

Description of key information

Bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of chemical calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate (CAS no. 5281-04-9).The study was performed according to OECD Guideline 305 (Bioconcentration: Flow-through Fish Test)andother guideline"Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively under flow through conditions at a temperature of 25°C and pH range 6.0-8.5, respectively. Cyprinus carpio (length - 8 dimensionless) was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.3mg/l and 0.03 mg/l, respectively.Test chemical solution was prepared in HCO-40 and Crystal sugar.Analytical method involve therecovery ratio:Fish : 79.6 %, - Limit of quantitation : Test water : 1st concentration area : 0.017 microg/mL, 2nd concentration area : 0.00 microg/mL, Fish : 0.18 microg/g. Range finding study involve theLC50(48h) >= 50.0 mg/Lon Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate on Cyprinus carpio was determined to be in the range of ≤ 0.7 -1.8 L/Kg at a conc. of 0.3 mg/l and ≤ 6.9 L/Kg at a conc. of 0.03 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate is not expected to bioaccumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):

6.9 L/kg ww

Additional information

Experimental study and various predicted data for the target compound Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate (CAS No. 5281-04-9) and supporting studies for its structurally and functionally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In an experimental study from authoritative databases and secondary source (2018), bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of chemical calcium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate (CAS no. 5281-04-9).The study was performed according to OECD Guideline 305 (Bioconcentration: Flow-through Fish Test)andother guideline"Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively under flow through conditions at a temperature of 25°C and pH range 6.0-8.5, respectively. Cyprinus carpio (length - 8 dimensionless) was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.3mg/l and 0.03 mg/l, respectively.Test chemical solution was prepared in HCO-40 and Crystal sugar.Analytical method involve therecovery ratio:Fish : 79.6 %, - Limit of quantitation : Test water : 1st concentration area : 0.017 microg/mL, 2nd concentration area : 0.00 microg/mL, Fish : 0.18 microg/g. Range finding study involve theLC50(48h) >= 50.0 mg/Lon Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate on Cyprinus carpio was determined to be in the range of ≤ 0.7 -1.8 L/Kg at a conc. of 0.3 mg/l and ≤ 6.9 L/Kg at a conc. of 0.03 mg/l, respectively.

 

In a prediction using the BCFBAF program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical Calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl) diazenyl]-2 -naphthoate (CAS No. 5281 -04 -9) (modelling database, 2018). The bioconcentration factor (BCF) of Calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2-naphthoate was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).

 

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance Calcium 3 -hydroxy-4 -[(4 -methyl-2 -sulfonatophenyl)diazenyl]-2 -naphthoate was estimated to be 8.51 dimensionless (modelling database, 2017) . The predicted BCF result based on the 5 OECD principles.

 

In a supporting study from authoritative database (2018) for the test chemical, bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test chemical. The study was performed according to “OECD Guideline 305 C (Bioaccumulation: Test for the Degree of Bioconcentration in Fish)” and other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 1 mg/land 0.1 mg/l, respectively. Test chemical solution was prepared in crystal sugar or HCO-40.Analytical method involve therecovery ratio: Fish : 85.8 %, - Limit of quantitation : Test water : 1st concentration area : 0.024 mg/L, 2nd concentration area : 0.0024 mg/L, Fish : 0.28 microg/g. Range finding study involve the LC50 (48hr) ≥ 400 mg/l on Rice fish (Oryzias latipes). Lipid content of the test organism Cyprinus carpio was determined to be 4.2% at start of exposure. The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.3 – 2.7 L/Kg at a conc. of 1 mg/l and ≤ 2.9 L/Kg at a conc. of 0.1 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that test chemical is not expected to bioaccumulate in the food chain.

 

For the same test chemical from authoritative database (2017), the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 6.5 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 10 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that test chemical is considered to be non-accumulative in aquatic organisms.

 

In an another supporting study from authoritative database (2017) for the test chemical,the bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 6.6 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 10 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.

 

On the basis of above results for target chemical Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate (from authoritative database, secondary source and modelling databases,2017), it can be concluded that the BCF value of test substance Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate ranges from 0.7 – 8.51, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Calcium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate is not expected to bioaccumulate in the food chain.