Dioctyl sebacate

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:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from authoritative database.

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using Bioconcentration factor (v12.1.0.50374).This particular module provides bioconcentration factor (BCF) values over the entire pH scale. Calculations are performed for both neutral and ionic species present at a given pH and utilize predicted values for LogP as well as pKa. The BCF and Koc values characterize the tendency for a compound to accumulate in aquatic organisms and soil respectively, putting these two values among the most important ones in the assessment of environmental fate of chemicals.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name (IUPAC): 1,10-dioctyl decanedioate
- Molecular formula: C26H50O4
- Molecular weight: 426.677 g/mol
- Smiles notation: C(=O)(OCCCCCCCC)CCCCCCCCC(=O)OCCCCCCCC
- InChl: 1S/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3
- Substance type: Organic
- Physical state: liquid (colourless to light yellow)

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: aquatic organisms

Route of exposure:

aqueous

Test type:

other: predicted

Water / sediment media type:

natural water: freshwater

Reference substance (positive control):

not specified

Type:

BCF

Value:

1 000 000 dimensionless

Basis:

whole body w.w.

Calculation basis:

other: no data

Remarks on result:

other: at pH range 0-14

Validity criteria fulfilled:

not specified

Conclusions:

Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor at range pH 1-14 of the chemical 1,10-dioctyl decanedioate estimated to be 1000000 dimensionless.

Executive summary:

Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor at range pH 1-14  of the chemical 1,10-dioctyl decanedioate (CAS no.2432-87-3) estimated to be 1000000 dimensionless. This value indicates that the chemical 1,10-dioctyl decanedioate is very bioaccumulative in aquatic organisms as this value exceeds 5000 criteria.

Description of key information

Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor at range pH 1-14  of the chemical1,10-dioctyl decanedioate (CAS no.2432-87-3) estimated to be 1000000 dimensionless. This value indicates that the chemical1,10-dioctyl decanedioate is very bioaccumulative in aquatic organisms as this value exceeds 5000 criteria.

Key value for chemical safety assessment

BCF (aquatic species):

1 000 000 dimensionless

Additional information

Results of Predicted data of target chemical 1,10-dioctyl decanedioate (CAS No: 2432-87-3) from three different sources by using different databases namely Bio-concentration Factor (v12.1.0.50374) module of(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) module, another one was SciFinder Database of American Chemical society and last one wasChemspider- ACD/PhysChem Suite of Royal Society of Chemistry, 2017 were obtained at different pH ranges ACD lab pH range from 1-14, Scifinder Datbase at pH range 1-10 and Chemspider at pH 5.5 and 7.4. The estimated values of Bioconcentration Factor i.e., BCF from three different sources were same which is 1000000 dimensionless this BCF value indicate that the target chemical 1,10-dioctyl decanedioate is very bioaccumulative in nature as BCF value exceeds 5000 criteria.