Dodecanoic acid, 2,2-dimethyl-3-oxopropyl ester

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

bioaccumulation in aquatic species: fish

Data waiving:

other justification

Justification for data waiving:

other:

Reference 2

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

2013-11-29

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

QSAR prediction

Qualifier:

according to guideline

Guideline:

other: Scientifically accepted calculation method

Deviations:

no

GLP compliance:

no

Radiolabelling:

no

Details on sampling:

not applicable (theoretical calculation)

Vehicle:

not specified

Details on preparation of test solutions, spiked fish food or sediment:

not applicable (theoretical calculation)

Test organisms (species):

no data

Details on test organisms:

not applicable (theoretical calculation)

Route of exposure:

other: not applicable (theoretical calculation)

Test type:

other: not applicable (theoretical calculation)

Water / sediment media type:

not specified

Hardness:

not applicable (theoretical calculation)

Test temperature:

not applicable (theoretical calculation)

pH:

not applicable (theoretical calculation)

Dissolved oxygen:

not applicable (theoretical calculation)

TOC:

not applicable (theoretical calculation)

Salinity:

not applicable (theoretical calculation)

Details on test conditions:

not applicable (theoretical calculation)

Nominal and measured concentrations:

not applicable (theoretical calculation)

Reference substance (positive control):

not specified

Details on estimation of bioconcentration:

- Software: EPI Suite v4.11 program
- Input parameter: SMILES code O=CC(C)(C)COC(=O)CCCCCCCCCCC

Key result

Type:

BCF

Value:

104.5 L/kg

Calculation basis:

other: estimation by calculation

Type:

other: log BCF

Value:

2.019

Details on kinetic parameters:

not applicable (theoretical calculation)

Metabolites:

not applicable (theoretical calculation)

Results with reference substance (positive control):

not applicable (theoretical calculation)

Details on results:

Estimated Log BCF = 2.019 (BCF = 104.5 L/kg wet-wt)

Reported statistics:

not applicable (theoretical calculation)

Conclusions:

Using EpiSuite software the bioaccumulation factor of 2,2-dimethyl-3-oxopropyl dodecanoate was estimated by calculation to be Log BCF = 2.019 (BCF = 104.5 L/kg wet-wt).

Executive summary:

Using EpiSuite software (v4.11) the bioaccumulation factor of 2,2-dimethyl-3-oxopropyl dodecanoate was estimated by calculation to be Log BCF = 2.019 (BCF = 104.5 L/kg wet-wt).

Description of key information

The performance of bioaccumulation in aquatic species, preferably fish is scientifically unjustified.
Regulation (EC) No 1907/2006 (REACH), Annex IX, Sect. 9.3.2, Col. 2, states as follows:
9.3.2. The 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.
In accordance with column 2 of REACH Annex IX, bioaccumulation in aquatic species, preferably fish was not conducted since the substance is considered to have no bioaccumulation potential. Using EPIWIN 4.1 a BCF of 104.5 L/kg wet-wt (Log BCF = 2.019) was calculated indicating no bioaccumulative potential. Due to the hydrolytically unstable nature of the test substance, it can be assumed that upon contact with water and organic matter, the test substance undergoes rapid degradation resulting in the formation of respective degradation products.