3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

experimental study

Adequacy of study:

weight of evidence

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 J-check database

Qualifier:

according to guideline

Guideline:

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

Principles of method if other than guideline:

Bioaccumulation test was conducted for 28 days for estimating the bioconcentration factor (BCF) and lipid content of test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(
3H),9'[9H]xanthene]3one in test organism Cyprinus carpio.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): C.I. Solvent Red 49
- Molecular formula (if other than submission substance): C28H30N2O3
- Molecular weight (if other than submission substance): 442.556 g/mol
- Smiles notation (if other than submission substance): C12(c3c(Oc4c1ccc(c4)N(CC)CC)cc(N(CC)CC)cc3)c1c(cccc1)C(O2)=O
- InChI: 1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3
- Substance type: Organic
- Physical state: Solid
- Purity:99.6 % (HPLC and LCMS)
- Water solubility : 851 mg/L (25 degreeC)

Radiolabelling:

not specified

Details on sampling:

No data available

Vehicle:

yes

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

PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances)
-Name and concentration of vehicle :
1st Concentration area : HCO40 50 microg/L, N,NDimethylformamide 50000 microg/L,
2nd Concentration area : HCO40 5 microg/L, N,NDimethylformamide 50000 microg/L

Test organisms (species):

Cyprinus carpio

Details on test organisms:

No data available

Route of exposure:

aqueous

Test type:

flow-through

Water / sediment media type:

natural water: freshwater

Total exposure / uptake duration:

28 d

Hardness:

No data available

Test temperature:

No data available

pH:

No data available

Dissolved oxygen:

No data available

TOC:

No data available

Salinity:

No data available

Conductivity:

No data available

Details on test conditions:

RANGE FINDING / PRELIMINARY STUDY
-Test concentrations : LC50(96h) > 10.0 mg/L, Rice fish(Oryzias latipes)

Nominal and measured concentrations:

Nominal concentrations-
1st concentration area: 10 mg/l
2nd concentration area: 1 mg/l

Reference substance (positive control):

not specified

Details on estimation of bioconcentration:

No data available

Lipid content:

2.87 %

Time point:

start of exposure

Lipid content:

1.94 %

Time point:

end of exposure

Key result

Conc. / dose:

10 µg/L

Type:

BCF

Value:

<= 0.91 L/kg

Basis:

other: Test material

Time of plateau:

28 d

Calculation basis:

other: No data

Key result

Conc. / dose:

1 µg/L

Type:

BCF

Value:

<= 9.1 L/kg

Basis:

other: test material

Time of plateau:

28 d

Calculation basis:

other: No data

Details on kinetic parameters:

No data available

Metabolites:

No data available

Results with reference substance (positive control):

No data available

Details on results:

Recovery ratio :
Test water : 97.8 %,
Fish : 91.9 %,

Reported statistics:

No data available

Bioconcentration test results:

		9 d	13 d	15 d	20 d	28 d
1st concentration area	Test substance concentration (microg/L)	10.4	10.5	9.86	9.83	10.1
	Bioconcentration factor (L/kg)	<= 0.91	<= 0.91	<= 0.91	<= 0.91	<= 0.91
		<= 0.91	<= 0.91	<= 0.91	<= 0.91	<= 0.91
2nd concentration area	Test substance concentration (microg/L)	1.06	1.04	1.00	1.01	0.998
	Bioconcentration factor (L/kg)	<= 9.1	<= 9.1	<= 9.1	<= 9.1	<= 9.1
		<= 9.1	<= 9.1	<= 9.1	<= 9.1	<= 9.1

Validity criteria fulfilled:

not specified

Conclusions:

The bioconcentration factor (BCF) for test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) was determined according to OECD Guideline 305 (Bioconcentration: Flow through Fish Test). The BCF value was observed to be <= 0.91 L/kg at dose concentration 10 microg/L and <= 9.1 L/kg at dose concentration 1 microg/L on test organism Cyprinus carpio during 28 day period.

Executive summary:

Bioaccumulation test was conducted for 28 days for determination the bioconcentration factor (BCF) and lipid content of test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) on test organism Cyprinus carpio.

 

The purity of test substance by HPLC and LCMS was found to be 99.6% and water solubility value is 851mg/l at 25ᵒC .The recovery ratio is given-Test water: 97.8 % and Fish: 91.9 % 

And Nominal concentrations used in the study as - 1st concentration area: 10 microg/L, 2nd concentration area: 1 microg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 96 hr LC50 value was found to be > 10.0 mg/L.

By analytical methods, the limit of quantification was found to be-

Test water: (Fish: 9.3 ng/g)

1st concentration area: 0.18 µg/l

2nd concentration area: 0.018µg/l 

Whereas the lipid content at the start and end of exposure was found to be 2.87% and 1.94%, respectively.

Thus according to guideline OECD Guideline 305 (Bioconcentration: Flow through Fish Test) the BCF value for test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) was observed to be <= 0.91 L/kg at dose concentration 10 microg/L and <= 9.1 L/kg at dose concentration 1 microg/L on test organism Cyprinus carpio during 28 day period.

These values indicate that the substance is not bioaccumulative.

Description of key information

The bioconcentration factor (BCF) for test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) was determined according to OECD Guideline 305 (Bioconcentration: Flow through Fish Test). The BCF value was observed to be <= 0.91 L/kg at dose concentration 10 microg/L and <= 9.1 L/kg at dose concentration 1 microg/L on test organism Cyprinus carpio during 28 day period.

Key value for chemical safety assessment

BCF (aquatic species):

0.91 L/kg ww

Additional information

Experimental data of Bioaccumulation endpoint for the target chemical C.I. Solvent Red 49 (Cas no. 509-34-2) and its read across chemical which is 70 -80 % structurally similar to target chemical were reviewed to summarize as follows:  

 Study 1:

Authorative database Japan chemicals collborative knowledge database (J-check);2017 for target chemical C.I. Solvent Red 49 (Cas no. 509-34-2)indicate Bioaccumulation test was conducted for 28 days for determination the bioconcentration factor (BCF) and lipid content of test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) on test organism Cyprinus carpio. The purity of test substance by HPLC and LCMS was found to be 99.6% and water solubility value is 851mg/l at 25ᵒC .The recovery ratio is given-Test water: 97.8 % and Fish: 91.9 %  And Nominal concentrations used in the study as- 1stconcentration area: 10 microg/L, 2ndconcentration area: 1 microg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 96 hr LC50 value was found to be > 10.0 mg/L.

By analytical methods, the limit of quantification was found to be-

Test water: (Fish: 9.3 ng/g)

1st concentration area: 0.18 µg/l

2nd concentration area: 0.018µg/l 

The lipid content at the start and end of exposure was found to be 2.87% and 1.94%, respectively. Thus according to guideline OECD Guideline 305 (Bioconcentration: Flow through Fish Test) the BCF value for test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) was observed to be <= 0.91 L/kg at dose concentration 10 microg/L and <= 9.1 L/kg at dose concentration 1 microg/L on test organism Cyprinus carpio during 28 day period. Reported bioaccumulation factor i.e BCF value suggested that the test substance C.I. Solvent Red 49 was non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

Study 2:

From same database i.e   Japan chemicals collborative knowledge database (J-check) (2017); data for read across chemical Fluorescein sodium (Cas no. 518-47-8) indicate Bioaccumulation test was conducted for 28 days for estimating the bioconcentration factor (BCF) and lipid content of test substance Fluorescein sodium in test organism Cyprinus carpio. The purity of test substance by HPLC was found to be 92.1% and water solubility value is≥300 g/l at 20ᵒC (Flask method). The recovery ratio is given-Test water: 100% (The test solution were input into analytical equipment directly.)Fish: 93.8% 

Nominal concentrations used in the study are given-1stconcentration area: 0.46 mg/l; 2ndconcentration area: 0.046 mg/l.Range finding study was carried out on Rice fish (Oryzias latipes) and the 96 hr LC50 value was found to be >200mg/l. By analytical methods, the limit of quantification was found to be-Test water: 1stconcentration area: 11 µg/l and 2ndconcentration area: 1.1 µg/l; Fish: 120 ng/g.The lipid content at the start and end of exposure was found to be 2.94% and 4.14%, respectively. The test substance concentration in environment during a period of 28 days was 0.46 mg/l, 0.046 mg/l and bioconcentration (BCF) value of test substance was found to be≤0.27 l/kg, respectively. Thus, the test substance has a low potential of bioaccumulation in test organism Cyprinus carpio during 28 day period.

Study 3:

In third study Information from CHRIP National Institute of Technology and Evaluation , 2017 database for read across Rhodamine B (Cas no.81-88-9) indicate Bioaccumulation study was conducted in cyprinus carpio for 6 weeks and the BCF was determined to be 0.2 and 1.7 L/Kg at the concentrations of 100 and 10 microgram /l.

Study 4:

Data from HSDB database; 2017 for read across chemical fluorescein (Cas no. 2321-07-5) indicate an estimated BCF value of 75 was calculated for fluorescein, using an estimated log Kow of 3.35 and a recommended regression-derived equation. This BCF value suggests that bioconcentration of fluorescein in aquatic organisms will not be an important fate process as it is non bioaccumulative in nature. 

Study 2, 3 and 4 of read across study supported to target study of 1.

Thus based on the above all brief summaries for target and read across which are structurally similar (70 -80%) it is concluded that the test substance C.I. Solvent Red 49 (Cas no. 509-34-2) is non Bioaccumulative in aquatic environment.