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EC number: 308-766-0 | CAS number: 98283-67-1
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- 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: Validated QSAR model.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- other: aqueous and dietary
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on test conditions:
- For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Pow of: 2.41 (estimated, KOWWIN v.1.68) - Type:
- BCF
- Value:
- 10.18 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas including biotransformation, upper trophic, including biotransformation rate
- Type:
- BAF
- Value:
- 10.18 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas including biotransformation, upper trophic, including biotransformation rate
- Details on results:
- For detailed description on on the prediction see "Any other information on results".
- Conclusions:
- The results have to be treated with caution as the substance does not completely fit into the applicability domain of the model as the maximum fragment number for aliphatic alcohols [-OH] is exceeded by one unit.
- 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: Validated QSAR model.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- other: aqueous and dietary
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on test conditions:
- For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Pow of: -0.09 (estimated, KOWWIN v.1.68) - Type:
- BCF
- Value:
- 0.909 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas including biotransformation, upper trophic, including biotransformation rate
- Type:
- BAF
- Value:
- 0.909 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas including biotransformation, upper trophic, including biotransformation rate
- Details on results:
- For detailed description on on the prediction see "Any other information on results".
- Conclusions:
- The results have to be treated with caution as the substance does not completely fit into the applicability domain of the model as the maximum fragment number for aliphatic alcohols [-OH] is exceeded by four units.
- 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: Validated QSAR model.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- other: aqueous and dietary
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on test conditions:
- For further detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables" and attached model background information in "Overall remarks, attachments".
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Pow of: -2.58 (estimated, KOWWIN v.1.68) - Type:
- BCF
- Value:
- 0.893 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas including biotransformation, upper trophic, including biotransformation rate
- Type:
- BAF
- Value:
- 0.893 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas including biotransformation, upper trophic, including biotransformation rate
- Details on results:
- For detailed description on on the prediction see "Any other information on results".
- Conclusions:
- The results have to be treated with caution as the substance does not fit into the applicability domain of the model (see remarks on results for further information).
Referenceopen allclose all
Summary Results:
Log BCF (regression-based estimate): 1.26 (BCF = 18 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0458 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 1.01 (BAF = 10.2 L/kg wet-wt)
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.0341 | 0.0341
Frag | 4 | Aliphatic alcohol [-OH] | -0.0616 | -0.2462
Frag | 2 | Aliphatic ether [C-O-C] | -0.0232 | -0.0465
Frag | 1 | Methyl [-CH3] | 0.2451 | 0.2451
Frag | 11 | -CH2- [linear] | 0.0242 | 0.2661
Frag | 5 | -CH - [cyclic] | 0.0126 | 0.0630
L Kow| * | Log Kow = 2.41 (KowWin estimate) | 0.3073 | 0.7398
MolWt| * | Molecular Weight Parameter | | -0.8577
Const| * | Equation Constant | | -1.5371
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | -1.3393
RESULT | Bio Half-Life (days) | | 0.04578
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 15.14 /day (10 gram fish)
kM (Rate Constant): 8.514 /day (100 gram fish)
kM (Rate Constant): 4.788 /day (1 kg fish)
kM (Rate Constant): 2.692 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 1.008 (BCF = 10.18 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 1.008 (BAF = 10.18 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 1.005 (BCF = 10.11 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 1.005 (BAF = 10.11 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 0.993 (BCF = 9.837 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 0.993 (BAF = 9.839 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 1.450 (BCF = 28.18 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 1.469 (BAF = 29.41 L/kg wet-wt)
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.00241 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): -0.04 (BAF = 0.909 L/kg wet-wt)
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.0341 | 0.0341
Frag | 7 | Aliphatic alcohol [-OH] | -0.0616 | -0.4309
Frag | 2 | Aliphatic ether [C-O-C] | -0.0232 | -0.0465
Frag | 1 | Methyl [-CH3] | 0.2451 | 0.2451
Frag | 12 | -CH2- [linear] | 0.0242 | 0.2902
Frag | 10 | -CH - [cyclic] | 0.0126 | 0.1260
L Kow| * | Log Kow = -0.09 (KowWin estimate) | 0.3073 | -0.0264
MolWt| * | Molecular Weight Parameter | | -1.2734
Const| * | Equation Constant | | -1.5371
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | -2.6187
RESULT | Bio Half-Life (days) | |0.002406
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 125 /day (10 gram fish) **
kM (Rate Constant): 70.29 /day (100 gram fish) **
kM (Rate Constant): 39.53 /day (1 kg fish) **
kM (Rate Constant): 22.23 /day (10 kg fish) **
** Predicted value exceeds theoretical whole body maximum value.
kM (Rate Constant) of 125 /day is recommended/applied for 10 g fish
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = -0.042 (BCF = 0.9088 L/kg wet-wt)
Estimated Log BAF (upper trophic) = -0.042 (BAF = 0.9088 L/kg wet-wt)
Estimated Log BCF (mid trophic) = -0.022 (BCF = 0.9495 L/kg wet-wt)
Estimated Log BAF (mid trophic) = -0.022 (BAF = 0.9495 L/kg wet-wt)
Estimated Log BCF (lower trophic) = -0.018 (BCF = 0.9585 L/kg wet-wt)
Estimated Log BAF (lower trophic) = -0.018 (BAF = 0.9585 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = -0.008 (BCF = 0.9808 L/kg wet-wt)
Estimated Log BAF (upper trophic) = -0.008 (BAF = 0.9819 L/kg wet-wt)
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.000126 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): -0.05 (BAF = 0.893 L/kg wet-wt)
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.0341 | 0.0341
Frag | 10 | Aliphatic alcohol [-OH] | -0.0616 | -0.6156
Frag | 2 | Aliphatic ether [C-O-C] | -0.0232 | -0.0465
Frag | 1 | Methyl [-CH3] | 0.2451 | 0.2451
Frag | 13 | -CH2- [linear] | 0.0242 | 0.3144
Frag | 15 | -CH - [cyclic] | 0.0126 | 0.1891
L Kow| * | Log Kow = -2.58 (KowWin estimate) | 0.3073 | -0.7925
MolWt| * | Molecular Weight Parameter | | -1.6892
Const| * | Equation Constant | | -1.5371
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | -3.8982
RESULT | Bio Half-Life (days) | |0.0001264
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 125 /day (10 gram fish) **
kM (Rate Constant): 70.29 /day (100 gram fish) **
kM (Rate Constant): 39.53 /day (1 kg fish) **
kM (Rate Constant): 22.23 /day (10 kg fish) **
** Predicted value exceeds theoretical whole body maximum value.
kM (Rate Constant) of 125 /day is recommended/applied for 10 g fish
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = -0.049 (BCF = 0.8931 L/kg wet-wt)
Estimated Log BAF (upper trophic) = -0.049 (BAF = 0.8931 L/kg wet-wt)
Estimated Log BCF (mid trophic) = -0.031 (BCF = 0.9316 L/kg wet-wt)
Estimated Log BAF (mid trophic) = -0.031 (BAF = 0.9316 L/kg wet-wt)
Estimated Log BCF (lower trophic) = -0.027 (BCF = 0.9403 L/kg wet-wt)
Estimated Log BAF (lower trophic) = -0.027 (BAF = 0.9403 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = -0.049 (BCF = 0.8933 L/kg wet-wt)
Estimated Log BAF (upper trophic) = -0.049 (BAF = 0.8933 L/kg wet-wt)
Description of key information
BCF: 0.8931 to 10.18 L/kg (BCFBAF v3.01, EPI Suite)
Key value for chemical safety assessment
Additional information
No experimental studies investigating the bioaccumulation potential of D-Glucopyranose, oligomeric, undecyl glycoside (CAS 98283 -67-1) are available. According to column 2 of Annex IX REACH Regulation 1907/2006, studies on the accumulation in aquatic species do not need be conducted as the substance has a log Kow of ≤ 3 and therefore a low potential for bioaccumulation is expected.
The latter is also supported by the low BCF (bioconcentration factor) values of the substance, estimated with a reliable QSAR model (BCFBAF v3.01, EPI Suite). Using the Arnot-Gobas method, including biotransformation, BCF values of 0.8931 to 10.18 L/kg were calculated for the three main constituents (Adaktylou, 2016). An exclusion of biotransformation resulted in higher BCF values of 0.8933 - 28.18 L/kg, indicating that extensive metabolism occurs and significantly reduces the bioaccumulation potential in a short period of time. The QSAR estimated biological half-lives are between 0.000126 and 0.0458 d. The BCF values are below 2000, indicating a low potential for bioaccumulation. However, two of the three main constituents do not fit completely in the applicability domain of the model and calculated results have to be considered with caution. For more details see remarks on results in the respective endpoint entries.
Furthermore, the substance can be digested by common metabolic pathways, which enhances the assumption of no bioaccumulation in organisms. For a detailed review on metabolism of the substance, please refer to the toxicokinetics statement in IUCLID section 7.1.
Consequently, it can be concluded that D-Glucopyranose, oligomeric, undecyl glycoside (CAS 98283-67-1) has a low potential for bioaccumulation.
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.
