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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically acceptable method

Data source

Reference
Reference Type:
other: review
Title:
Unnamed
Year:
2006

Materials and methods

Test guideline
Qualifier:
no guideline required
Deviations:
not applicable
Principles of method if other than guideline:
For the estimation/calculation the percentages by weight and the mean percentages of branching have been used to determine a composition of a typical sample of the substance. Branched and linear aliphatic components are present in a ratio that can vary between the approximate limits of 20:80 and 80:20. This compositions have been used as the basis for modelling bioaccumulation.
GLP compliance:
no
Remarks:
not applicable (QSAR calculation)

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
481-670-5
EC Name:
-
Cas Number:
848301-66-6
Molecular formula:
As the substance is a UVCB substance neither a molecular formular nor the molecular weight can be defined.
IUPAC Name:
C8-C16 branched and linear hydrocarbons (full range) – Kerosine
Details on test material:
- Name of test material (as cited in study report): Kerosine (Fischer-Tropsch), full range, C8-16 - branched and linear
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
not applicable (QSAR calculation)
Radiolabelling:
no

Sampling and analysis

Details on sampling:
not applicable (QSAR calculation)

Test solutions

Details on preparation of test solutions, spiked fish food or sediment:
not applicable (QSAR calculation)

Test organisms

Test organisms (species):
other: not applicable (QSAR calculation)
Details on test organisms:
not applicable (QSAR calculation)

Study design

Route of exposure:
other: not applicable (QSAR calculation)
Test type:
other: not applicable (QSAR calculation)
Water / sediment media type:
not specified

Test conditions

Hardness:
not applicable (QSAR calculation)
Test temperature:
not applicable (QSAR calculation)
pH:
not applicable (QSAR calculation)
Dissolved oxygen:
not applicable (QSAR calculation)
TOC:
not applicable (QSAR calculation)
Salinity:
not applicable (QSAR calculation)
Details on test conditions:
not applicable (QSAR calculation)
Nominal and measured concentrations:
not applicable (QSAR calculation)
Reference substance (positive control):
not required
Remarks:
not applicable (QSAR calculation)
Details on estimation of bioconcentration:
not applicable (QSAR calculation)

Results and discussion

Lipid content
Remarks on result:
other: not applicable (QSAR calculation)
Bioaccumulation factor
Type:
BCF
Value:
>= 634 - <= 2 563
Remarks on result:
other: QSAR calculation
Details on kinetic parameters:
not applicable (QSAR calculation)
Metabolites:
not applicable (QSAR calculation)
Results with reference substance (positive control):
not applicable (QSAR calculation)
Details on results:
not applicable (QSAR calculation)
Reported statistics:
not applicable (QSAR calculation)

Any other information on results incl. tables

In the range C5-11 the following expression is used:

log BCF = -2.66 + 0.83 (Carbon Number) – 0.0023 (Carbon Number ^ 3)

For higher carbon numbers, it should be assumed that a plateau is reached. The maximum value obtained using the QSAR model is for C11, therefore the log BCF value of 3.4 calculated for C11 also applies for all substances >C11 as a worst-case interpretation. As carbon number increases, at some point it is expected that molecular size and decreased water solubility would limit bioavailability. Thus, significantbioaccumulation would no longer take place. The molecular size at which this would occur is not known, although it has been discussed extensively in the literature and so is not discussed fully here. Molecular weights greater than 500 – 700 are considered to be too high for significant bioavailability, as mentioned in REACH Technical Guidance Chapter R11.

As shown in Table 1 the cubic model QSAR, with a maximum value used for substances with carbon number >C11, suggests that there can be B constituents in Fischer-Tropsch substances with carbon numbers >C9. There are no vB constituents.

Table 1: Predicted BCF values and interpretation of assessment of bioaccumulation

Carbon number

C^3

log BCF (predicted - QSAR)

BCF (predicted - QSAR)

B/vB

5

125

1.20

16

Not B

6

216

1.82

67

Not B

7

343

2.36

230

Not B

8

512

2.80

634

Not B

9

729

3.13

1359

Not B

10

1000

3.34

2188

B

11

1331

3.41

2563

B

>11-approx C40

1728

3.41

2563(1)

B

(1) This represents a worst case scenario.

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
QSAR calculation
Conclusions:
It is concluded from the obtained results that the test substance 'Kerosine (Fischer-Tropsch), full range, C8-16 - branched and linear' will contain components with the potential to bioaccumulate. However, the bioconcentration factors (BCF) should be considered carefully since bioaccumulation potential may not be realised in-vivo because of the high degradability potential of the hydrocarbon components.
Executive summary:

Bioaccumulation of 'Kerosine (Fischer-Tropsch), full range, C8-16 - branched and linear' was estimated by QSAR calculation. It is concluded from the obtained results that the test substance will contain components with the potential to bioaccumulate.

However, the BCFs should be considered carefully since bioaccumulation potential may not be realised in-vivo because of the high degradability potential of the hydrocarbon components.