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Bioaccumulation: aquatic / sediment

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Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Calculation of bioconcentration factors to determine the potential for bioaccumulation of chemicals is acceptable provided that a recognised and scientifically robust method is used. The TGD includes two methods for calculation of a BCF QSAR depending on the molecular weight and log Kow. This approach is considered to be acceptable with restrictions. The information does not come from a test report, and the minimum fields required cannot be filled in.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Principles of method if other than guideline:
BCFBAF v3.00 in EPI Suite™ (Estimation Program Interface for Windows, version 4.0. Syracuse Research Corporation, Syracuse, NY, USA) U.S. Environmental Protection Agency, OPPT)
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: calculated
Route of exposure:
other: calculated
Test type:
other: calculated
Water / sediment media type:
not specified
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
_ Estimation software: BCFBAF v.3.00
_ log Kow used : 5.86 (Petrorisk)
Type:
BCF
Value:
144.3 L/kg
Basis:
other: calculated
Details on results:
Log Kow (estimated) : 5.25
Log Kow (experimental): 5.01
Log Kow used by BCF estimates: 5.86 (user entered)

Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374

Estimated Log BCF = 2.16 (BCF = 144.3 L/kg wet-wt)

===========================================================

Whole Body Primary Biotransformation Rate Estimate for Fish:

===========================================================

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 2 | Linear C4 terminal chain [CCC-CH3]      | 0.0341 | 0.0682

 Frag | 2 | Methyl [-CH3]                           | 0.2451 | 0.4902

 Frag | 8 | -CH2- [linear]                          | 0.0242 | 0.1935

 Frag | 1 | N-Alkane (linear) ... < C22              | 0.0000 | 0.0000

 L Kow| * | Log Kow =  5.86 (user-entered  )       | 0.3073 | 1.8010

 MolWt| * | Molecular Weight Parameter               |        | -0.3649

 Const| * | Equation Constant                        |        | -1.5058

============+============================================+=========+=========

  RESULT  |       LOG Bio Half-Life (days)           |        | 0.6510

  RESULT  |           Bio Half-Life (days)           |        |  4.478

  NOTE    | Bio Half-Life Normalized to 10 g fish at 15 deg C  |

============+============================================+=========+=========

 

Biotransformation Rate Constant:

 kM (Rate Constant): 0.1548 /day (10 gram fish)

 kM (Rate Constant): 0.08705 /day (100 gram fish)

 kM (Rate Constant): 0.04895 /day (1 kg fish)

 kM (Rate Constant): 0.02753 /day (10 kg fish)

 

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

  Estimated Log BCF (upper trophic) = 3.185 (BCF = 1532 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 3.407 (BAF = 2552 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 3.316 (BCF = 2070 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 3.793 (BAF = 6214 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 3.354 (BCF = 2259 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 4.065 (BAF = 1.161e+004 L/kg wet-wt)

 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

  Estimated Log BCF (upper trophic) = 4.301 (BCF = 2.001e+004 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 6.262 (BAF = 1.829e+006 L/kg wet-wt)

 

 

------------------------------------------------------------------------------

 

 

Validity criteria fulfilled:
not applicable
Remarks:
This is a calculated value
Conclusions:
The calculated BCF of decane is 144.3 L/kg. This value indicates that decane is not to be considered as a bioaccumulable substance.
Executive summary:

The QSAR used to calculated the BCF of decane followed the Reach guidance indications (R7.10.3.2) and so is deemed suitable for the assessment of decane bioconcentration. The calculated BCF of 144.3 L/kg indicates that decane does not belong to bioaccumulable substances.

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Calculation of bioconcentration factors to determine the potential for bioaccumulation of chemicals is acceptable provided that a recognised and scientifically robust method is used. The TGD includes two methods for calculation of a BCF QSAR depending on the molecular weight and log Kow. This approach is considered to be acceptable with restrictions. The information does not come from a test report, and the minimum fields required cannot be filled in.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Principles of method if other than guideline:
BCFBAF v3.00 in EPI Suite™ (Estimation Program Interface for Windows, version 4.0. Syracuse Research Corporation, Syracuse, NY, USA) U.S. Environmental Protection Agency, OPPT)
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: calculated
Route of exposure:
other: calculated
Test type:
other: calculated
Water / sediment media type:
not specified
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
_ Estimation software: BCFBAF v.3.00
_ log Kow used : 6.42 (Petrorisk)
Type:
BCF
Value:
337.8 L/kg
Basis:
other: calculated
Details on results:
Log Kow (estimated) : 5.74
Log Kow (experimental): No data
Log Kow used by BCF estimates: 6.42 (user entered)

Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374

Estimated Log BCF = 2.529 (BCF = 337.8 L/kg wet-wt)

===========================================================

Whole Body Primary Biotransformation Rate Estimate for Fish:

===========================================================

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 2 | Linear C4 terminal chain [CCC-CH3]      | 0.0341 | 0.0682

 Frag | 2 | Methyl [-CH3]                           | 0.2451 | 0.4902

 Frag | 9 | -CH2- [linear]                          | 0.0242 | 0.2177

 Frag | 1 | N-Alkane (linear) ... < C22              | 0.0000 | 0.0000

 L Kow| * | Log Kow =  6.42 (user-entered  )       | 0.3073 | 1.9731

 MolWt| * | Molecular Weight Parameter               |        | -0.4008

 Const| * | Equation Constant                        |        | -1.5058

============+============================================+=========+=========

  RESULT  |       LOG Bio Half-Life (days)           |        | 0.8114

  RESULT  |           Bio Half-Life (days)           |        |  6.477

  NOTE    | Bio Half-Life Normalized to 10 g fish at 15 deg C  |

============+============================================+=========+=========

 

Biotransformation Rate Constant:

 kM (Rate Constant): 0.107 /day (10 gram fish)

 kM (Rate Constant): 0.06018 /day (100 gram fish)

 kM (Rate Constant): 0.03384 /day (1 kg fish)

 kM (Rate Constant): 0.01903 /day (10 kg fish)

 

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

  Estimated Log BCF (upper trophic) = 3.211 (BCF = 1624 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 3.950 (BAF = 8902 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 3.350 (BCF = 2237 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 4.379 (BAF = 2.395e+004 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 3.391 (BCF = 2462 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 4.641 (BAF = 4.38e+004 L/kg wet-wt)

 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

  Estimated Log BCF (upper trophic) = 4.290 (BCF = 1.948e+004 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 6.787 (BAF = 6.129e+006 L/kg wet-wt)

 

 

------------------------------------------------------------------------------

 

 

Validity criteria fulfilled:
not applicable
Remarks:
This is a calculated value
Conclusions:
The calculated BCF of undecane is 337.8 L/kg. This value indicates that undecane is not to be considered as a bioaccumulable substance.
Executive summary:

The QSAR used to calculated the BCF of undecane followed the Reach guidance indications (R7.10.3.2) and so is deemed suitable for the assessment of undecane bioconcentration. The calculated BCF of 337.8 L/kg indicates that undecane does not belong to bioaccumulable substances.

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Calculation of bioconcentration factors to determine the potential for bioaccumulation of chemicals is acceptable provided that a recognised and scientifically robust method is used. The TGD includes two methods for calculation of a BCF QSAR depending on the molecular weight and log Kow. This approach is considered to be acceptable with restrictions. The information does not come from a test report, and the minimum fields required cannot be filled in.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Principles of method if other than guideline:
BCFBAF v3.00 in EPI Suite™ (Estimation Program Interface for Windows, version 4.0. Syracuse Research Corporation, Syracuse, NY, USA) U.S. Environmental Protection Agency, OPPT)
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: calculated
Route of exposure:
other: calculated
Test type:
other: calculated
Water / sediment media type:
not specified
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
_ Estimation software: BCFBAF v.3.00
_ log Kow used : 6.98 (Petrorisk)
Type:
BCF
Value:
790.9 L/kg
Basis:
other: calculated
Details on results:
Log Kow (estimated) : 6.23
Log Kow (experimental): 6.10
Log Kow used by BCF estimates: 6.98 (user entered)

Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374

Estimated Log BCF = 2.898 (BCF = 790.9 L/kg wet-wt)

=============================

BCF (Bioconcentration Factor):

=============================

Log Kow (estimated) : 6.23

Log Kow (experimental): 6.10

Log Kow used by BCF estimates: 6.98 (user entered)

 

Equation Used to Make BCF estimate:

  Log BCF = 0.6598 log Kow - 0.333 + Correction

 

     Correction(s):                   Value

      Alkyl chains (8+ -CH2- groups) -1.374

 

  Estimated Log BCF = 2.898 (BCF = 790.9 L/kg wet-wt)

 

===========================================================

Whole Body Primary Biotransformation Rate Estimate for Fish:

===========================================================

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 2 | Linear C4 terminal chain [CCC-CH3]      | 0.0341 | 0.0682

 Frag | 2 | Methyl [-CH3]                           | 0.2451 | 0.4902

 Frag | 10 | -CH2- [linear]                          | 0.0242 | 0.2419

 Frag | 1 | N-Alkane (linear) ... < C22              | 0.0000 | 0.0000

 L Kow| * | Log Kow =  6.98 (user-entered  )       | 0.3073 | 2.1452

 MolWt| * | Molecular Weight Parameter               |        | -0.4368

 Const| * | Equation Constant                        |        | -1.5058

============+============================================+=========+=========

  RESULT  |       LOG Bio Half-Life (days)           |        | 0.9717

  RESULT  |           Bio Half-Life (days)           |        |  9.369

  NOTE    | Bio Half-Life Normalized to 10 g fish at 15 deg C  |

============+============================================+=========+=========

 

Biotransformation Rate Constant:

 kM (Rate Constant): 0.07398 /day (10 gram fish)

 kM (Rate Constant): 0.0416 /day (100 gram fish)

 kM (Rate Constant): 0.0234 /day (1 kg fish)

 kM (Rate Constant): 0.01316 /day (10 kg fish)

 

Note: For Arnot-Gobas BCF & BAF Methods, Experimental Km Half-Life Used:

  Exp Km Half-Life = 0.261 days (Rate Constant = 0.38/ day)

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

  Estimated Log BCF (upper trophic) = 2.400 (BCF = 251.3 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 2.767 (BAF = 584.2 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 2.539 (BCF = 345.9 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 3.549 (BAF = 3543 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 2.581 (BCF = 381.5 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 4.068 (BAF = 1.171e+004 L/kg wet-wt)

 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

  Estimated Log BCF (upper trophic) = 4.086 (BCF = 1.218e+004 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 7.077 (BAF = 1.194e+007 L/kg wet-wt)

 

 

------------------------------------------------------------------------------

Validity criteria fulfilled:
not applicable
Remarks:
This is a calculated value
Conclusions:
The calculated BCF of dodecane is 790.9 L/kg. This value indicates that dodecane is not to be considered as a bioaccumulable substance.
Executive summary:

The QSAR used to calculated the BCF of dodecane followed the Reach guidance indications (R7.10.3.2) and so is deemed suitable for the assessment of dodecane bioconcentration. The calculated BCF of 790.9 L/kg indicates that dodecane does not belong to bioaccumulable substances.

Endpoint:
bioaccumulation: aquatic / sediment
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Calculation of bioconcentration factors to determine the potential for bioaccumulation of chemicals is acceptable provided that a recognised and scientifically robust method is used. The TGD includes two methods for calculation of a BCF QSAR depending on the molecular weight and log Kow. This approach is considered to be acceptable with restrictions. The information does not come from a test report, and the minimum fields required cannot be filled in.
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
BCFBAF v3.00 in EPI Suite™ (Estimation Program Interface for Windows, version 4.0. Syracuse Research Corporation, Syracuse, NY, USA) U.S. Environmental Protection Agency, OPPT)
GLP compliance:
no
Remarks:
QSAR
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: calculated
Route of exposure:
other: calculated
Test type:
other: calculated
Water / sediment media type:
not specified
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
_ Estimation software: BCFBAF v.3.00
_ log Kow used : 7.55 (Petrorisk)
Key result
Type:
BCF
Value:
1 811 L/kg
Basis:
other: calculated
Details on results:
Log Kow (estimated) : 6.73
Log Kow (experimental): No data
Log Kow used by BCF estimates: 6.98 (user entered)

Equation Used to Make BCF estimate:
Log BCF = -0.49 log Kow + 7.554 + Correction

Correction(s): Value
Alkyl chains (8+ -CH2- groups) -0.596

Estimated Log BCF = 3.258 (BCF = 1811 L/kg wet-wt)

=============================

BCF (Bioconcentration Factor):

=============================

Log Kow (estimated) : 6.73

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 7.55 (user entered)

 

Equation Used to Make BCF estimate:

  Log BCF = -0.49 log Kow + 7.554 + Correction

 

     Correction(s):                   Value

      Alkyl chains (8+ -CH2- groups) -0.596

 

  Estimated Log BCF = 3.258 (BCF = 1811 L/kg wet-wt)

 

===========================================================

Whole Body Primary Biotransformation Rate Estimate for Fish:

===========================================================

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 2 | Linear C4 terminal chain [CCC-CH3]      | 0.0341 | 0.0682

 Frag | 2 | Methyl [-CH3]                           | 0.2451 | 0.4902

 Frag | 11 | -CH2- [linear]                          | 0.0242 | 0.2661

 Frag | 1 | N-Alkane (linear) ... < C22              | 0.0000 | 0.0000

 L Kow| * | Log Kow =  7.55 (user-entered  )       | 0.3073 | 2.3204

 MolWt| * | Molecular Weight Parameter               |        | -0.4728

 Const| * | Equation Constant                        |        | -1.5058

============+============================================+=========+=========

  RESULT  |       LOG Bio Half-Life (days)           |        | 1.1351

  RESULT  |           Bio Half-Life (days)           |        |  13.65

  NOTE    | Bio Half-Life Normalized to 10 g fish at 15 deg C  |

============+============================================+=========+=========

 

Biotransformation Rate Constant:

 kM (Rate Constant): 0.05078 /day (10 gram fish)

 kM (Rate Constant): 0.02856 /day (100 gram fish)

 kM (Rate Constant): 0.01606 /day (1 kg fish)

 kM (Rate Constant): 0.009031 /day (10 kg fish)

 

Note: For Arnot-Gobas BCF & BAF Methods, Experimental Km Half-Life Used:

  Exp Km Half-Life = 1.031 days (Rate Constant = 0.06454/ day)

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

  Estimated Log BCF (upper trophic) = 2.691 (BCF = 490.5 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 4.602 (BAF = 4.001e+004 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 2.834 (BCF = 681.8 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 4.895 (BAF = 7.857e+004 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 2.877 (BCF = 753.8 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 5.073 (BAF = 1.183e+005 L/kg wet-wt)

 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

  Estimated Log BCF (upper trophic) = 3.782 (BCF = 6052 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 7.160 (BAF = 1.446e+007 L/kg wet-wt)

 

 

------------------------------------------------------------------------------

Validity criteria fulfilled:
not applicable
Remarks:
This is a calculated value
Conclusions:
The calculated BCF of tridecane is 1811 L/kg. This value indicates that tridecane is not to be considered as a bioaccumulable substance.
Executive summary:

The QSAR used to calculated the BCF of tridecane followed the Reach guidance indications (R7.10.3.2) and so is deemed suitable for the assessment of tridecane bioconcentration. The calculated BCF of 1811 L/kg indicates that tridecane does not belong to bioaccumulable substances.

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Calculation of bioconcentration factors to determine the potential for bioaccumulation of chemicals is acceptable provided that a recognised and scientifically robust method is used. The TGD includes two methods for calculation of a BCF QSAR depending on the molecular weight and log Kow. This approach is considered to be acceptable with restrictions. The information does not come from a test report, and the minimum fields required cannot be filled in.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose for cross-reference:
read-across: supporting information
Principles of method if other than guideline:
BCFBAF v3.00 in EPI Suite™ (Estimation Program Interface for Windows, version 4.0. Syracuse Research Corporation, Syracuse, NY, USA) U.S. Environmental Protection Agency, OPPT)
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: calculated
Route of exposure:
other: calculated
Test type:
other: calculated
Water / sediment media type:
not specified
Reference substance (positive control):
not required
Details on estimation of bioconcentration:
BASIS FOR CALCULATION OF BCF
_ Estimation software: BCFBAF v.3.00
_ log Kow used : 8.11 (Petrorisk)
Type:
BCF
Value:
962.9 L/kg
Basis:
other: calculated
Details on results:
Log Kow (estimated) : 7.22
Log Kow (experimental): 7.20
Log Kow used by BCF estimates: 8.11 (user entered)

Equation Used to Make BCF estimate:
Log BCF = -0.49 log Kow + 7.554 + Correction

Correction(s): Value
Alkyl chains (8+ -CH2- groups) -0.596

Estimated Log BCF = 2.984 (BCF = 962.9 L/kg wet-wt)

===========================================================

Whole Body Primary Biotransformation Rate Estimate for Fish:

===========================================================

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 2 | Linear C4 terminal chain [CCC-CH3]      | 0.0341 | 0.0682

 Frag | 2 | Methyl [-CH3]                           | 0.2451 | 0.4902

 Frag | 12 | -CH2- [linear]                          | 0.0242 | 0.2902

 Frag | 1 | N-Alkane (linear) ... < C22              | 0.0000 | 0.0000

 L Kow| * | Log Kow =  8.11 (user-entered  )       | 0.3073 | 2.4925

 MolWt| * | Molecular Weight Parameter               |        | -0.5088

 Const| * | Equation Constant                        |        | -1.5058

============+============================================+=========+=========

  RESULT  |       LOG Bio Half-Life (days)           |        | 1.2954

  RESULT  |           Bio Half-Life (days)           |        |  19.74

  NOTE    | Bio Half-Life Normalized to 10 g fish at 15 deg C  |

============+============================================+=========+=========

 

Biotransformation Rate Constant:

 kM (Rate Constant): 0.03511 /day (10 gram fish)

 kM (Rate Constant): 0.01974 /day (100 gram fish)

 kM (Rate Constant): 0.0111 /day (1 kg fish)

 kM (Rate Constant): 0.006243 /day (10 kg fish)

 

Note: For Arnot-Gobas BCF & BAF Methods, Experimental Km Half-Life Used:

  Exp Km Half-Life = 1.491 days (Rate Constant = 0.02238/ day)

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

  Estimated Log BCF (upper trophic) = 2.604 (BCF = 401.6 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 5.383 (BAF = 2.413e+005 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 2.750 (BCF = 561.9 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 5.359 (BAF = 2.283e+005 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 2.794 (BCF = 622.4 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 5.342 (BAF = 2.199e+005 L/kg wet-wt)

 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

  Estimated Log BCF (upper trophic) = 3.480 (BCF = 3021 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 7.069 (BAF = 1.171e+007 L/kg wet-wt)

 

 

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Validity criteria fulfilled:
not applicable
Remarks:
This is a calculated value
Conclusions:
The calculated BCF of tetradecane is 962.9 L/kg. This value indicates that tetradecane is not to be considered as a bioaccumulable substance.
Executive summary:

The QSAR used to calculated the BCF of tetradecane followed the Reach guidance indications (R7.10.3.2) and so is deemed suitable for the assessment of tetradecane bioconcentration. The calculated BCF of 962.9 L/kg indicates that tetradecane does not belong to bioaccumulable substances.

Description of key information

This endpoint has been calculated for representative hydrocarbon structures including the substances in C9-14 Aliphatics (≤ 2% aromatic) using the BCFWIN v2.16 model within EPISuite 3.12 as input to the hydrocarbon block method incorporated into the PETRORISK model. The predicted BCFs for hydrocarbons are generally overly conservative since biotransformation is not quantitatively taken into account. Therefore, indirect exposure and resulting risk estimates predicted by PETRORISK are likely to be overestimated. For the purposes of PBT assessment, measured bioaccumulation data for representative hydrocarbon constituents including the substance have been used as detailed in PETRORISK spreadsheet attached to IUCLID section 13.

The QSAR used to calculated the BCF of C9-14 Aliphatics (≤ 2% aromatics) followed the Reach guidance indications (R7.10.3.2) and so is deemed suitable for the assessment of bioconcentration.

The calculated BCF of decane is 144.3 L/kg. This value indicates that decane is not to be considered as a bioaccumulable substance.

The calculated BCF of undecane is 337.8 L/kg. This value indicates that undecane is not to be considered as a bioaccumulable substance.

The calculated BCF of 790.9 L/kg indicates that dodecane does not belong to bioaccumulable substances.

The calculated BCF of tridecane is 1811 L/kg. This value indicates that tridecane is not to be considered as a bioaccumulable substance.

The calculated BCF of tetradecane is 962.9 L/kg. This value indicates that tetradecane is not to be considered as a bioaccumulable substance.

Key value for chemical safety assessment

Additional information