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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

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.