Alcohols, C12-14

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Reference 1

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:

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:

QSAR prediction: QSAR method cited as reliable in the REACH guidance

Qualifier:

no guideline followed

Principles of method if other than guideline:

BCFBAF v3.01 in EPI Suite (v4.1)

GLP compliance:

no

Remarks:

not applicable

Radiolabelling:

no

Vehicle:

no

Test organisms (species):

other: QSAR model

Route of exposure:

other: QSAR model

Test type:

other: QSAR model

Water / sediment media type:

not specified

Remarks:

freshwater

Hardness:

QSAR model

Test temperature:

QSAR model

pH:

QSAR model

Dissolved oxygen:

QSAR model

TOC:

QSAR model

Salinity:

QSAR model

Nominal and measured concentrations:

QSAR model

Reference substance (positive control):

not required

Type:

BCF

Value:

47.59 L/kg

Basis:

whole body w.w.

Remarks on result:

other: regression based method

Type:

BAF

Value:

445 L/kg

Basis:

whole body w.w.

Remarks on result:

other: Arnot-Gobas (upper trophic)

Details on results:

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)

Reported statistics:

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 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)

Validity criteria fulfilled:

yes

Conclusions:

QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of Alcohols, C12-14 is 47.59 L/kg wet-wt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.

Executive summary:

Bioconcentration/bioaccumulation was estimated using QSAR estimation software (EPISUITE v4.1 BCFBAF v3.01), in accordance with REACH Annex XI. The estimated log BCF is 1.677 (BCF = 47.59 L/kg wet-wt) using the regression-based method. The estimated log BAF is 2.65 (BAF = 445 L/kg wet-wt) using the Arnot-Gobas upper trophic method.

Reference 2

Endpoint:

bioaccumulation in aquatic species: fish

Data waiving:

other justification

Justification for data waiving:

other:

Description of key information

QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of Alcohols, C12-14 is 47.59 L/kg wet-wt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.

Key value for chemical safety assessment

BCF (aquatic species):

47.59 L/kg ww

Additional information

QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of Alcohols, C12-14 is 47.59 L/kg wet-wt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.

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