Alcohols, C16-18

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: Q)SAR method with established scientific validity

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:

544.4 L/kg

Basis:

whole body w.w.

Remarks on result:

other: regression based method

Type:

BAF

Value:

1 920 L/kg

Basis:

whole body w.w.

Remarks on result:

other: Arnot-Gobas (upper trophic)

Details on results:

--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 2.74 (BCF = 544 L/kg wet-wt)
Biotransformation Half-Life (days) : 3.1 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 3.28 (BAF = 1.92e+003 L/kg wet-wt)

Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 6.73

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 = 2.736 (BCF = 544.4 L/kg wet-wt)

Reported statistics:

Log BCF (regression-based estimate): 2.74 (BCF = 544 L/kg wet-wt)
Biotransformation Half-Life (days) : 3.1 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 3.28 (BAF = 1.92e+003 L/kg wet-wt)

Log BCF (regression-based estimate): 2.74 (BCF = 544 L/kg wet-wt)

Biotransformation Half-Life (days) : 3.1 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 3.28 (BAF = 1.92e+003 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, C16-18 is 544.4 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 2.74 (BCF = 544.4 L/kg wet-wt) using the regression-based method. The estimated log BAF is 3.28 (BAF = 1920 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:

Reference 3

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

other: published data

Adequacy of study:

disregarded due to major methodological deficiencies

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

other: Not valid due to use of total radioactivity, estimation of exposure concentrations, no attempt to determine if steady state conditions were achieved.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Method other:Tests were performed with Hexadecanol/DMSO, Hexadecanol/DMSO/Tween 85, Hexadecanol/Tween 85 and Hexadecanol/Tween 80 but results are only reported for Hexadecanol/DMSO since mortality of control and test animals was unacceptable in the other tests.
Hexadecanol was weighed out and dissolved in dimethyl sulphoxide to produce 1, 3, 10, 30 and 100 mg/l solutions.
Radiolabelled Hexadecanol (12.5 mCi/mmol, 9-14C) was dissolved in acetone. Labelled Hexadecanol was added to glass vials and the acetone evaporated. 'Cold' Hexadecanol was then added. Five litres of test solution were prepared for each test concentration.
500 ul of each stock solution was sonicated into 500 ml of carbon-filtered Wirral tap water (test medium). This was diluted to 5 litres with more carbon-filtered Wirral tap water to produce the final concentrations. Ten fish were exposed at each of the 5 concentrations. Test solutions were renewed daily.

GLP compliance:

not specified

Radiolabelling:

yes

Vehicle:

yes

Test organisms (species):

Danio rerio (previous name: Brachydanio rerio)

Route of exposure:

aqueous

Test type:

static

Water / sediment media type:

natural water: freshwater

Total exposure / uptake duration:

96 h

Hardness:

Total Hardness (as CaCO3 mg/l) = 84-95

Test temperature:

Test temperature = 18.5-20.5 C

pH:

pH = 7.1-7.7

Dissolved oxygen:

Dissolved Oxygen (mg/l) = 6.5-7.8

Details on test conditions:

Hexadecanol was weighed out and dissolved in dimethyl sulphoxide to produce 1, 3, 10, 30 and 100 mg/l solutions.
Radiolabelled Hexadecanol (12.5 mCi/mmol, 9-14C) was dissolved in acetone. Labelled Hexadecanol was added to glass vials and the acetone evaporated. 'Cold' Hexadecanol was then added. Five litres of test solution were prepared for each test concentration.
500 ul of each stock solution was sonicated into 500 ml of carbon-filtered Wirral tap water (test medium). This was diluted to 5 litres with more carbon-filtered Wirral tap water to produce the final concentrations. Ten fish were exposed at each of the 5 concentrations. Test solutions were renewed daily.

Nominal and measured concentrations:

1, 3, 10, 30 and 100 mg/l solutions.

Type:

BCF

Value:

>= 507 - <= 1 550 L/kg

Validity criteria fulfilled:

not specified

Conclusions:

BCF's based on estimated soluble concentrations are reasonably similar all falling in the range 500-1000.

Description of key information

QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of Alcohols, C16-18   is 544.4 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):

544.4 L/kg ww

Additional information

QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of Alcohols, C16-18 is 544.4 L/kg wet-wt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.