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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

Currently viewing:

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
Study period:
2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimation according to BCFBAF v3.01 of EPIWIN.
Justification for data waiving:
other:
Cross-referenceopen allclose all
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
other: software
Title:
Unnamed
Year:
2011

Materials and methods

Principles of method if other than guideline:
The BCF value was determined using the BCFBAF v3.01 program of EPIWEB v 4.1. for each of the constituents of ‘soybean oil, deodorizer distillates’ i.e. fatty acids of chain lengths from C16-18, including C18-unsatd. as well as on a triglyceride with maximal chain length (i.e. tristearin) and unsaponifiable matter (UM) (e.g. tocopherols, sterols, sterol esters and squalene). The BCF values for fatty acids, triglycerides and UM's have been presented in this summary to represent the worst case scenario and the final BCF value have been provided as range.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
'Soybean oil, deodorizer distillates’
IUPAC Name:
'Soybean oil, deodorizer distillates’
Constituent 2
Reference substance name:
Soybean oil, deodorizer distillate
EC Number:
272-211-8
EC Name:
Soybean oil, deodorizer distillate
Cas Number:
68783-88-0
Molecular formula:
No generic molecular formula is available
IUPAC Name:
Not available for UVCB
Details on test material:
- Name of test material (as cited in study report): 'soybean oil, deodorizer distillates’
- Composition of test material:
A.Glycerides for C18 chain length i.e. tristerain or glycerol tristearate
B. Fatty acid: Stearic, palmitic, oleic, linoleic and linolenic acid
C. Unsaponifiable matters:
(a) Total Tocopherols: (i) alpha-tocopherol (ii) beta-tocopherol (iii) gamma-tocopherol (iv) delta-tocopherol
(b) Total sterols: (i) Cholesterol (ii) Brassicasterol (iii) Campesterol (iv) Stigmasterol (v) β-Sitosterol
(c) Squalene



Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not applicable

Sampling and analysis

Details on sampling:
Not applicable

Test solutions

Vehicle:
no
Details on preparation of test solutions, spiked fish food or sediment:
Not applicable

Test organisms

Test organisms (species):
other: Not applicable
Details on test organisms:
Not applicable

Study design

Route of exposure:
other: Not applicable
Test type:
other: Not applicable

Test conditions

Hardness:
Not applicable
Test temperature:
Not applicable
pH:
Not applicable
Dissolved oxygen:
Not applicable
TOC:
Not applicable
Salinity:
Not applicable
Details on test conditions:
Not applicable
Nominal and measured concentrations:
Not applicable
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01 of EPIWIN was used to derive the BCF values, of three constituents of the test substance i.e. glycerides, free fatty acids and unsaponifiable matter.

- Assumption:
- For the fatty acid component, the BCF values were determined for palmitic acid representing C16 fatty acid; stearic acid representing saturated fatty acids; oleic acid, linoleic acid and linolenic acid representing the mono, di and tri unstaurated fatty acids
- As the BCF value increased with increasing chain length of the glycerides, the highest chain length i.e. tristerain or glycerol tristearate was considered for this constituents to reflect the worst case scenario.
- For the unsaponifiable matters component, the BCF values were determined for the total tocopherols, total sterols and squalene
Hence, the final BCF values were represented as an range.


- Method: Estimated using the the derived QSAR estimation equation for Log Kow > 7.0:
Log BCF = -0.49 Log Kow + 7.554 + Σ correction factors
(n = 35, r2 = 0.634, Q2 = 0.57, std dev = 0.538, avg dev = 0.396)













Results and discussion

Bioaccumulation factoropen allclose all
Type:
other: Estimated BCF of glycerides for C18 chain length i.e. tristerain or glycerol tristearate:
Value:
3.162 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow = 23.94 (estimated)
Remarks on result:
other: Log BCF from regression-based method
Type:
other: Estimated BCF of fatty acid: Stearic acid
Value:
10 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 8.23 (experimental value)
Remarks on result:
other: Log BCF from regression-based method
Type:
other: Estimation of BCF of fatty acid: Oleic acid
Value:
56.23 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 7.64 (experimental value)
Remarks on result:
other: Log BCF from regression-based method
Type:
other: Estimation of BCF of fatty acid: Palmitic acid
Value:
56.23 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 7.2 (experimental value)
Remarks on result:
other: Log BCF from regression-based method
Type:
other: Estimate of BCF of fatty acid: Linoleic acid
Value:
56.23 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 7.05 (experimental value)
Remarks on result:
other: Log BCF from regression-based method
Type:
other: Estimation of BCF of fatty acid: Linolenic acid
Value:
56.23 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 6.5 (experimental value)
Remarks on result:
other: Log BCF from regression-based method
Type:
other: Estimated BCF of total tocopherols
Value:
ca. 18.2 - 38.59 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 11.78 (mean estimated value for all tocopherols)
Remarks on result:
other: Log BCF from regression-based method
Type:
other: Estimated BCF of total sterols
Value:
ca. 671.2 - 1 871 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 9.18 (mean estimated value for all sterols)
Remarks on result:
other: Estimated using Log BCF from regression-based method
Type:
other: Estimated BCF of squalene
Value:
4.309 L/kg
Basis:
other: wet weight
Calculation basis:
other: log Kow used: 14.12 (estimated)
Remarks on result:
other: Log BCF from regression-based method
Details on kinetic parameters:
Not applicable
Metabolites:
Not applicable
Results with reference substance (positive control):
Not applicable
Details on results:
(A) Glycerides: For C18 chain length i.e. tristerain or glycerol tristearate:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.16 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.1075 days (HL = 1281 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: 23.94 (estimated)

(B) Fatty acids: For C18 chain length
(1) Stearic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.000 (BCF = 10 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3094 days (HL = 20.39 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.331 (BCF = 214.3)
Log BAF Arnot-Gobas method (upper trophic) = 4.897 (BAF = 7.893e+004)
log Kow used: 8.23 (expkow database)

(2) Oleic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2825 days (HL = 19.17 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.839 (BCF = 690.2)
Log BAF Arnot-Gobas method (upper trophic) = 5.179 (BAF = 1.509e+005)
log Kow used: 7.64 (expkow database)

(3) Palmitic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0071 days (HL = 10.17 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.974 (BCF = 941.2)
Log BAF Arnot-Gobas method (upper trophic) = 4.610 (BAF = 4.077e+004)
log Kow used: 7.17 (expkow database)

(4) Linoleic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2557 days (HL = 18.02 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.275 (BCF = 1882)
Log BAF Arnot-Gobas method (upper trophic) = 5.202 (BAF = 1.594e+005)
log Kow used: 7.05 (expkow database)

(5) Linolenic acid:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2288 days (HL = 16.94 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.559 (BCF = 3626)
Log BAF Arnot-Gobas method (upper trophic) = 4.948 (BAF = 8.873e+004)
log Kow used: 6.46 (expkow database)

(C) Unsaponifiable matter:
(I). Total tocopherols:
(i) α-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.586 (BCF = 38.59 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4107 days (HL = 25.75 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.034 (BCF = 0.925)
Log BAF Arnot-Gobas method (upper trophic) = 1.321 (BAF = 20.94)
log Kow used: 12.18 (estimated)
(ii) β-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.258 (BCF = 18.12 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4540 days (HL = 28.44 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.007 (BCF = 1.017)
Log BAF Arnot-Gobas method (upper trophic) = 1.949 (BAF = 89)
log Kow used: 11.63 (estimated)
(iii) γ-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.258 (BCF = 18.12 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4540 days (HL = 28.44 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.007 (BCF = 1.017)
Log BAF Arnot-Gobas method (upper trophic) = 1.949 (BAF = 89)
log Kow used: 11.63 (estimated)
(iv) δ-Tocopherol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.526 (BCF = 33.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4972 days (HL = 31.42 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.138 (BCF = 1.373)
Log BAF Arnot-Gobas method (upper trophic) = 2.587 (BAF = 386.1)
log Kow used: 11.08 (estimated)
(II) Total sterols:
(i) Cholesterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.272 (BCF = 1871 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.2090 days (HL = 161.8 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.591 (BCF = 389.9)
Log BAF Arnot-Gobas method (upper trophic) = 6.041 (BAF = 1.1e+006)
log Kow used: 8.74 (estimated)
(ii) Brassicasterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.173 (BCF = 1489 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.4195 days (HL = 262.7 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.535 (BCF = 343.1)
Log BAF Arnot-Gobas method (upper trophic) = 6.076 (BAF = 1.192e+006)
log Kow used: 8.94 (estimated)
(iii) Campesterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.067 (BCF = 1168 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.3311 days (HL = 214.3 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.280 (BCF = 190.5)
Log BAF Arnot-Gobas method (upper trophic) = 5.798 (BAF = 6.276e+005)
log Kow used: 9.16 (estimated)
(iv) Stigmasterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.932 (BCF = 855.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.5586 days (HL = 361.9 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.148 (BCF = 140.5)
Log BAF Arnot-Gobas method (upper trophic) = 5.737 (BAF = 5.46e+005)
log Kow used: 9.43 (estimated)
(v) β-Sitosterol:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.827 (BCF = 671.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.4702 days (HL = 295.3 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.891 (BCF = 77.82)
Log BAF Arnot-Gobas method (upper trophic) = 5.458 (BAF = 2.873e+005)
log Kow used: 9.65 (estimated)
(III) Squalene:
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.634 (BCF = 4.309 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 4.5456 days (HL = 3.513e+004 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8994)
Log BAF Arnot-Gobas method (upper trophic) = 1.520 (BAF = 33.11)
log Kow used: 14.12 (estimated)
Reported statistics:
Not applicable

Any other information on results incl. tables

None

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
The estimated BCF of the test substance (considering the constituents glycerides, fatty acids and unsaponifiable matters), according to the BCFBAF v3.01 of EPIWIN, ranges from: 3.16 to 1,871 L/kg wet-wt.

Executive summary:

The BCF value of 'soybean oil, deodorizer distillates' was determined using the BCFBAF v3.01 program of EPIWEB v 4.1. for each of its constituents i.e. glycerides and free fatty acids of mainly C16-18 and C18-unsatd., chain lengths and unsaponifiable matter (UM) (e.g. tocopherols, sterols, sterol esters and squalene). The estimation by this method is more or less accurate as the molecular weight and the Kow range for the different constituents of test substance are within the molecular weight and Kow range of the training set compounds, except for the Kow of glycerides.

The estimated BCF of the test substance (considering the constituents glycerides, fatty acids and unsaponifiable matters), according to the BCFBAF v3.01 of EPIWIN, ranges from: 3.16 to 1,871 L/kg wet-wt.