Dialuminium tris[2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate]

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

BCFBAF™: Formerly called BCFWIN™, this program estimates fish bioconcentration factor and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels.

Principles of method if other than guideline:

BCFBAF™: Formerly called BCFWIN™, this program estimates fish bioconcentration factor and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels.

GLP compliance:

no

Specific details on test material used for the study:

- Name of test material (as cited in study report):Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate]
- Molecular formula :C20H8Br4O5.2/3Al
- Molecular weight :1991.5992 g/mol
- InChl :1S/3C20H8Br4O5.2Al/c3*21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h3*1-6,25-26H;;/q;;;2*+3/p-6
- Substance type:Organic
- Physical state:Solid

Radiolabelling:

not specified

Test organisms (species):

not specified

Route of exposure:

aqueous

Justification for method:

minimised test method used to support BCF estimates based on Kow

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Key result

Type:

BCF

Value:

3.162 L/kg

Basis:

whole body w.w.

Remarks on result:

other: other details not available

Rate constant:

other: days

Remarks:

half-life

Value:

0.929

Details on kinetic parameters:

The regression based log Kow was for CAS no. 15876-39-8 calculated to 0.5 L/kg wet-weight (BCF=3.162 L/kg). The half-life was calculated to 0.9287 days. The log BCF based on Arnot-Gobas method was calculated to 2.564 L/kg wet-wt. The compound was therefore predicted to be of low concern for bioaccumulation in fish (calculated in EPI suite version 4.1, 2017).

The regression based log Kow was for CAS no. 15876-39-8 calculated to 0.5 L/kg wet-weight (BCF=3.162 L/kg). The half-life was calculated to 0.9287 days. The log BCF based on Arnot-Gobas method was calculated to 2.564 L/kg wet-wt.The compound was therefore predicted to be of low concern for bioaccumulation in fish (calculated in EPI suite version 4.1, 2017).

Validity criteria fulfilled:

not specified

Conclusions:

The regression based log Kow was for target chemical Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate](CAS no. 15876-39-8) calculated to 0.5 L/kg wet-weight (BCF=3.162 L/kg). The half-life was calculated to 0.9287 days. The log BCF based on Arnot-Gobas method was calculated to 2.564 L/kg wet-wt. The compound was therefore predicted to be of low concern for bioaccumulation in fish (calculated in EPI suite version 4.1, 2017).

Executive summary:

BCFBAF™, previously called BCFWIN™, was used to estimate fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW and any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The logarithmic octanol-water partition coefficient (log Kow) was calculated to 4.8 (estimated by KOWWIN™ estimates the log, log KOW, of chemicals using an atom/fragment contribution method.). The regression based log Kow was for target chemical Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (CAS no. 15876-39-8) calculated to 0.5 L/kg wet-weight (BCF=3.162 L/kg). The half-life was calculated to 0.9287 days. The log BCF based on Arnot-Gobas method was calculated to 2.564 L/kg wet-wt. The compound was therefore predicted to be of low concern for bioaccumulation in fish (calculated in EPI suite version 4.1, 2017) and non bioaccumulative.

Description of key information

Bioconcentration Factor ( BCF) of target chemical Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (CAS no. 15876-39-8) Was estimated by using Estimation Program Interface (EPI Suite, 2017). The Estimated BCF Value is 3.162 L/Kg, it is far less tha 2000 criteria, therfore it is concluded that this test chemical is not bioaccumulative.

Key value for chemical safety assessment

BCF (aquatic species):

3.162 L/kg ww

Additional information

BCFBAF™, previously called BCFWIN™, was used to estimate fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW and any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The logarithmic octanol-water partition coefficient (log Kow) was calculated to 4.8 (estimated by KOWWIN™ estimates the log, log KOW, of chemicals using an atom/fragment contribution method.). The regression based log Kow was for target chemical Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (CAS no. 15876-39-8) calculated to 0.5 L/kg wet-weight (BCF=3.162 L/kg). The half-life was calculated to 0.9287 days. The log BCF based on Arnot-Gobas method was calculated to 2.564 L/kg wet-wt. The compound was therefore predicted to be of low concern for bioaccumulation in fish (calculated in EPI suite version 4.1, 2017) and non bioaccumulative.