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EC number: 279-420-3 | CAS number: 80206-82-2
Endpoint summary
Administrative data
Description of key information
Additional information
Bioaccumulation
Bioaccumulation is considered to be low for Alcohols, C12-14 which is from the category of Long Chain aliphatic Alcohols, which are rapidly metabolised in higher organisms.
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).
A 96 hours, hexadecan-1-ol bioconcentration factors (BCFs) for the Brachydanio rerio (new name: Danio rerio) species ranged from 500 to 1000 (Unilever,1996).
These experimental and estimated BCF values suggest that Alcohols, C12-14 has a low potential for bioaccumulation.
Chain lengths C11 and above have log Kow >4.5 and so could be considered to be potentially bioaccumulative.
Two evidences result in the conclusion that Alcohols, C12-14 is not expected to be B/vB:
1. Due to rapid degradation combined with evidence of rapid metabolism in mammalian and fish studies, it is unlikely that bioaccumulation of Alcohols, C12-14 would be demonstrated in studies.
2. The conduct of guideline-standard studies of bioaccumulation in fish would be confounded by the technical difficulties of maintaining the test alcohol in solution according to results of other long-term studies with invertebrates. In these studies, severe difficulties were encountered in conducting the study as biodegradation of the substance in the test system was almost complete within the 24 h test media renewal period.
Therefore, Alcohols, C12-14 is not considered to be bioaccumulative.
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)
Bioaccumulation: terrestrial
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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