Registration Dossier
Registration Dossier
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EC number: 279-420-3 | CAS number: 80206-82-2
Bioaccumulation: terrestrial
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: terrestrial
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Reference
Description of key information
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , a bioaccumulation study need not be conducted if:
— the substance has a low potential for bioaccumulation (for instance a log Kow ≤ 3) and/or a low potential to cross biological membranes, or
— direct and indirect exposure of the aquatic compartment is unlikely.
The estimated Log BCF of Alcohols, C12-14 is 1.677 (BCF = 47.59 L/kg wet-wt)
This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 5.13, and predicted bioconcentration factors, log BCF = 1.677 (EPIWIN/BCF Program).
The estimated BCF of 47.59 L/kg wet-wt was measured by calculation from EPI SuiteTM v4.1 Program.
These values would suggest very low bioaccumulation potential.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Key value for chemical safety assessment
- BCF (terrestrial species):
- 47.59 L/kg ww
Additional information
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , a bioaccumulation study need not be conducted if:
— the substance has a low potential for bioaccumulation (for instance a log Kow ≤ 3) and/or a low potential to cross biological membranes, or
— direct and indirect exposure of the aquatic compartment is unlikely.
The estimated Log BCF of Alcohols, C12-14 is 1.677 (BCF = 47.59 L/kg wet-wt)
This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 5.13, and predicted bioconcentration factors, log BCF = 1.677 (EPIWIN/BCF Program).
The estimated BCF of 47.59 L/kg wet-wt was measured by calculation from EPI SuiteTM v4.1 Program.
These values would suggest very low bioaccumulation potential.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
BCFBAF Program (v3.01) Results:
==============================
SMILES : CCCCCCCCCCCCO
CHEM : Alcohols, C12-14
MOL FOR: C13 H28O
MOL WT : 193-203
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.68 (BCF = 47.6 L/kg wet-wt)
Biotransformation Half-Life (days) : 1.11 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.65 (BAF = 445 L/kg wet-wt)
Log Kow (experimental): 5.13
Log Kow used by BCF estimates: 5.13
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 = 1.677 (BCF = 47.59 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 | 1 | Aliphatic alcohol [-OH] | -0.0616 | -0.0616
Frag | 1 | Methyl [-CH3] | 0.2451 | 0.2451
Frag | 11 | -CH2- [linear] | 0.0242 | 0.2661
L Kow| * | Log Kow = 5.13 (experimental ) | 0.3073 | 1.5767
MolWt| * | Molecular Weight Parameter | | -0.4778
Const| * | Equation Constant | | -1.5371
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | 0.0455
RESULT | Bio Half-Life (days) | | 1.11
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 0.6242 /day (10 gram fish)
kM (Rate Constant): 0.351 /day (100 gram fish)
kM (Rate Constant): 0.1974 /day (1 kg fish)
kM (Rate Constant): 0.111 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 2.645 (BCF = 441.5 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 2.649 (BAF = 445.4 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 2.768 (BCF = 586.7 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.810 (BAF = 645.1 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 2.804 (BCF = 636.2 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 2.953 (BAF = 896.5 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 3.988 (BCF = 9717 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 5.245 (BAF = 1.758e+005 L/kg wet-wt)
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