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EC number: 927-241-2 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is fulfilled using quantitative structure property relationships for representative hydrocarbon structures. The BCFBAF 3.01 model is a well characterised and generally accepted bioaccumulation prediction model, used by the USEPA, the OECD and recommended by ECHA. The SMILES input data for the BCFBAF 3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in 'Attached full study report' and PETRORISK report attached in IUCLID section 13).
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Software tool(s) used including version: OECD QSAR Toolbox Version 4.4.1
Model(s) used: BCFBAF v3.01 – Arnot-Gobas model which was corrected to 5% lipid content in fish.
The SMILES input data for the BFBAF3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in ‘Attached full study report’ and PETRORISK report attached in IUCLID section 13). - GLP compliance:
- no
- Remarks:
- (Q)SAR
- Key result
- Type:
- BCF
- Value:
- >= 6.91 - <= 1 582.4 L/kg
- Remarks on result:
- other: normalized to a 5% lipid content in fish
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The calculated BCF of this substance ranges from 6.91 - 1582.40 L/kg.
- Executive summary:
The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is fulfilled using quantitative structure property relationships for representative hydrocarbon structures. The BCFBAF 3.01 model is a well characterised and generally accepted bioaccumulation prediction model, used by the USEPA, the OECD and recommended by ECHA. The SMILES input data for the BCFBAF 3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in 'Attached full study report' and PETRORISK report attached in IUCLID section 13).
The calculated BCF of this substance ranges from 6.91 - 1582.40 L/kg.
- 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) - 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) - 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) - 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 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) - 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.
Referenceopen allclose all
===========================================================
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)
------------------------------------------------------------------------------
===========================================================
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)
------------------------------------------------------------------------------
=============================
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)
------------------------------------------------------------------------------
===========================================================
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)
------------------------------------------------------------------------------
Description of key information
Hydrocarbons, C9 -C10, n-alkanes, isoalkanes, cyclics, <2% aromatics are hydrocarbon UVCBs. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is fulfilled using quantitative structure property relationships for representative hydrocarbon structures. The BCFBAF 3.01 model is a well characterised and generally accepted bioaccumulation prediction model, used by the USEPA, the OECD and recommended by ECHA. The SMILES input data for the BCFBAF 3.01 model is obtained from the PETRORISK Product Library (see OECD QSAR Toolbox report in 'Attached full study report' and PETRORISK report attached in IUCLID section 13).
The calculated BCF of Hydrocarbons, C9 -C10, n-alkanes, isoalkanes, cyclics, <2% aromatics ranges from 6.91 - 1582.40 L/kg.
The BCFWIN v2.16 model within EPISuite 3.12 has been used to estimate the bioaccumulation potential of a number of representative substances. This data is used as a weight of evidence alongside the data reported above.
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 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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.