Resinoid of Liquidambar styraciflua (Hamamelidaceae) obtained from exudate by organic solvents extraction

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

Not applicable

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:

1. SOFTWARE
OASIS CATALOGIC v.5.11.19

2. MODEL (incl. version number)
CATALOGIC Kinetic 301F v.13.16 (June, 2016)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL

{X=1.4352/weight %}OCCCc1ccccc1_{X=2.506/weight %}O=C(C=Cc1ccccc1)OCc1ccccc1_{X=3.4286/weight %}OCC=Cc1ccccc1_{X=30.767/weight %}O=C(C=Cc1ccccc1)OCCCc1ccccc1_{X=4.3627/weight %}OC(=O)C=Cc1ccccc1_{X=57.501/weight%}O=C(C=Cc1ccccc1)OCC=Cc1ccccc1

See details presented in test material information.

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF

5. APPLICABILITY DOMAIN
See attached QPRF

6. ADEQUACY OF THE RESULT
See attached QPRF

Qualifier:

according to guideline

Guideline:

other: Reach Guidance on QSAR - R.6

Deviations:

no

Principles of method if other than guideline:

QSAR, CATALOGIC Kinetic 301F v.13.16 within LMC OASIS CATALOGIC v.5.11.19
More details are given in QMRF/QPRF attached to the dossier.

GLP compliance:

no

Specific details on test material used for the study:

The predicted substance is an UVCB (plant extract). This resinoid is composed of volatile, semi-volatile and non-volatile constituents. Up to 66.87% of the constituents have been identified (volatile, semi-volatile, non-volatile constituents). From the volatile constituents, 96.17% have been identified. These are represented by 6 constituents present at >1% in the mixture, for a total of 87.79%. The present biodegradation predictions are conducted on those 6 identified volatile constituents.

Oxygen conditions:

aerobic

Inoculum or test system:

activated sludge, domestic, non-adapted

Details on inoculum:

Aerobic microorganisms: activated sludge taken from a treatment plant or laboratory-scale unit receiving predominantly domestic sewage. Inoculum may be pre-conditioned to the experimental conditions, but not pre-adapted to the test substance. Pre-conditioning consists of aerating activated sludge in mineral medium or secondary effluent for 5-7 days at the test temperature.

Duration of test (contact time):

28 d

Parameter followed for biodegradation estimation:

O2 consumption

Details on study design:

Not applicable

Preliminary study:

Not applicable

Test performance:

Not applicable

Key result

Parameter:

% degradation (O2 consumption)

Value:

86

Sampling time:

28 d

Remarks on result:

other: see "Remark"

Remarks:

The prediction of the biodegradability of the mixture made by the software is based on the prediction of biodegradation of each constituent.

Details on results:

The outcome of the model for 5 constituents out of the 6 is considered suitable to support the assessment of the biodegradability potential of the registered substance. The model predicts that 5 out of the 6 constituents achieve a 84-86 % biodegradation (BOD), exceeding the 60 % pass level set by the OECD Guidelines for testing of Chemicals (301) for ready biodegradability. One minor constituent is out of domain (although predicted to be biodegradable).
The 10-day window criteria was met for all the constituents, however since the registered substance is composed of various constituents this precludes the application of a 10-day window when assessing the biodegradability of the substance as a whole (OECD, 2006).

Results with reference substance:

Not applicable

Prediction percentage of biodegradation after 28d:

%BOD [28d] = 0.86 ± 0.0140

Concomitant predictions: Ready degradable

Primary half-life < 1 day

Ultimate half-life = 10 days

Start day of Calc. 10 days window = 2

BOD calc at 10 days window =0.7007

Classification of Calc. 10 days window = Ready

The prediction of the biodegradability of the mixture made by the software is based on the prediction of biodegradation of each constituent. See the attached QPRF.

Validity criteria fulfilled:

not applicable

Interpretation of results:

not readily biodegradable

Conclusions:

The registered substance is predicted to be readily biodegradable by the present model based on the prediction of 6 known volatile constituents.

Executive summary:

The ready biodegradability of the registered substance has been investigated using the QSAR model CATALOGIC Kinetic 301F v.13.16 within LMC OASIS CATALOGIC v5.11.19. This model allows to predict the ready biodegradability of a substance in an OECD 301F study.

The outcome of the model for the registered substance is considered suitable to assess its biodegradability potential.

The registered substance is an UVCB (plant extract). This resinoid is composed of volatile, semi-volatile and non-volatile constituents. Up to 66.87% of the constituents have been identified (volatile, semi-volatile, non-volatile constituents). From the volatile constituents, 96.17% have been identified. These are represented by 6 constituents present at >1% in the mixture, for a total of 87.79%. The present biodegradation predictions are conducted on those 6 identified volatile constituents.

The model indicates that the registered substance achieves 86 % biodegradation (BOD) after 28 days, exceeding the 60 % pass level set by the OECD Guidelines for testing of Chemicals (301) for ready biodegradability of a substance.

The registered substance is predicted to be readily biodegradable by the present model based on the prediction of 6 known volatile constituents.

Description of key information

QSAR, CATALOGIC Kinetic 301F v.13.16, key study, validity 2:

86 % biodegradation (BOD) after 28 days, based on the prediction of 6 identified volatile constituents.

Readily biodegradable

Key value for chemical safety assessment

Biodegradation in water:

readily biodegradable

Type of water:

freshwater

Additional information

To assess the ready biodegradability of the registered substance, one QSAR prediction was performed using the QSAR model CATALOGIC Kinetic 301F v.13.16 within LMC OASIS CATALOGIC v5.11.19. This model allows to predict the ready biodegradability of a substance in an OECD 301F study.

The registered substance is an UVCB (plant extract). This resinoid is composed of volatile, semi-volatile and non-volatile constituents. Up to 66.87% of the constituents have been identified (volatile, semi-volatile, non-volatile constituents). From the volatile constituents, 96.17% have been identified. These are represented by 6 constituents present at >1% in the mixture, for a total of 87.79%. The present biodegradation predictions are conducted on those 6 identified volatile constituents.

The model indicates that the registered substance achieves 86 % biodegradation (BOD) after 28 days, exceeding the 60 % pass level set by the OECD Guidelines for testing of Chemicals (301) for ready biodegradability of a substance.

In conclusion, the registered substance is predicted to be readily biodegradable.