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Biodegradation in water: screening tests

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Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1996
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Study conducted according to OECD Guideline 301 C but with deviations: no detail on material and methods
Qualifier:
according to
Guideline:
OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
Deviations:
yes
Remarks:
no detail on material and methods
Principles of method if other than guideline:
Not applicable
GLP compliance:
not specified
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
No data
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge (adaptation not specified)
Details on inoculum:
- Concentration of sludge: 30 mg/L
Duration of test (contact time):
28 d
Initial conc.:
100 mg/L
Based on:
test mat.
Details on study design:
No data
Preliminary study:
No data
Test performance:
No data
Parameter:
% degradation (O2 consumption)
Value:
>= 90 - <= 99
Sampling time:
28 d
Details on results:
- Indirect analysis (BOD): 90%
- Direct analysis (TOC) & (GC): 99% and 100% respectively.
Results with reference substance:
No data

None

Validity criteria fulfilled:
not specified
Interpretation of results:
readily biodegradable
Conclusions:
Under the test conditions, linalool was readily biodegradable.
Executive summary:

In a ready biodegradation study performed according to OECD Guideline 301 C, linalool was tested at concentrations of 100 mg/L and the inoculum was activated sludge (30 mg/L). The degradation of the test material was assessed by the determination of the oxygen consumption.

At 100 mg/L test concentration, 90 -99% degradation (biochemical oxygen demand) was reached in 28 days.

 

Under the test conditions, linalool was readily biodegradable.

 

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1991
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation
Remarks:
- Only limited information is available on the test. No information about the composition of the medium, pH during the test, light regime and shaking during the study. All of these are important factors in the degradation of the test substance. - In a curve showing the oxygen consumption over 28 days, beside a sludge control (30 mg/L) also a blank control (100 mg/L) is included. This is probably due to a mistake, because in the report no information is given about an abiotic control included in this study.
Qualifier:
according to
Guideline:
OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
Deviations:
yes
Remarks:
limited information on material and methods
Principles of method if other than guideline:
Not applicable
GLP compliance:
no
Specific details on test material used for the study:
No data
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge (adaptation not specified)
Details on inoculum:
- Concentration of sludge: 30 mg/L
- prepared from soil of river bank, sludge of a municipal treatment plant and sludge of an industrial sewage plant.
Duration of test (contact time):
28 d
Parameter followed for biodegradation estimation:
O2 consumption
Details on study design:
- 2 flasks Treated (basal culture medium + activated sludge + linalyl acetate (100-102 mg/L));
- 1 flask Positive Control (basal culture medium + activated sludge + Aniline (92 mg/L));
- 1 flask Blank Control (basal culture medium + activated sludge).

Incubation was performed for 28 days at 20°C.
Preliminary study:
No data
Test performance:
No data
Parameter:
% degradation (O2 consumption)
Value:
75
Sampling time:
28 d
Details on results:
See next section "any other information on results incl. tables"
Results with reference substance:
See next section "any other information on results incl. tables"

Biodegradation values for linalyl acetate and positive control. Values are corrected for blank control values:

Treatment Mean % biodegradation [% of ThOD] on day: 
1 4 7 10 14 18 22 28
Linalyl acetate 4 33 54 62 68 71 73 75
Positive control 0 9.4 72 74 77 78 80 84
Validity criteria fulfilled:
not specified
Interpretation of results:
readily biodegradable
Conclusions:
Under the test conditions, linalyl acetate was readily biodegradable.
Executive summary:

In a ready biodegradation study performed according to OECD Guideline 301 C, linalyl acetate (purity 96.0%) was tested and the inoculum was activated sludge (30 mg/L). The test was performed as follow:

- 2 flasks Treated (basal culture medium + activated sludge + linalyl acetate (100-102 mg/L));

- 1 flask Positive Control (basal culture medium + activated sludge + Aniline (92 mg/L));

- 1 flask Blank Control (basal culture medium + activated sludge).

The degradation of the test material was assessed by the determination of the oxygen consumption.

The incubation was performed for 28 days at 20°C. The oxygen consumption was determined daily with a volumetric respirometer.

The results of the biodegradation values for linalyl acetate and positive control are shown in the table herafter:

Treatment Mean % biodegradation [% of ThOD] on day: 
1 4 7 10 14 18 22 28
Linalyl acetate 4 33 54 62 68 71 73 75
Positive control 0 9.4 72 74 77 78 80 84

The mean % biodegradation of linalyl acetate reached 75% on day 28 and the 10-day window criterion was successful.

Therefore, under the test conditions, the substance linalyl acetate was considered as readily biodegradable.

 

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1978
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Study conducted according to OECD Guideline 301 C but with deviations: no detail on material and methods
Qualifier:
according to
Guideline:
OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
Deviations:
yes
Remarks:
no detail on material and methods
Principles of method if other than guideline:
Not applicable
GLP compliance:
not specified
Specific details on test material used for the study:
No data
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge (adaptation not specified)
Details on inoculum:
- Concentration of sludge: 30 ppm
Duration of test (contact time):
2 wk
Initial conc.:
100 other: ppm
Based on:
test mat.
Details on study design:
No data
Preliminary study:
No data
Test performance:
No data
Parameter:
% degradation (O2 consumption)
Value:
84.6
Sampling time:
2 wk
Details on results:
- Indirect analysis (BOD): 84.6%
- Direct analysis (GC): 100%
- Direct analysis (TOC): 93%
Results with reference substance:
No data

None

Validity criteria fulfilled:
not specified
Interpretation of results:
readily biodegradable
Conclusions:
Under the test conditions, alpha-terpineol was readily biodegradable.
Executive summary:

In a ready biodegradation study performed according to OECD Guideline 301 C, alpha-terpineol was tested at concentrations of 100 ppm and the inoculum was activated sludge (30 ppm). The degradation of the test material was assessed by the determination of the oxygen consumption.

At 100 ppm test concentration, 84.6% degradation by biochemical oxygen demand was reached in 2 weeks.

 

Under the test conditions, alpha-terpineol was readily biodegradable.

 

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
1987
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Study conducted according to OECD Guideline 301 C but with deviations: no detail on material and methods
Justification for type of information:
Read-across based on results from MITI data on beta-myrcene extrapolated to beta-ocimene.
Indeed, beta-myrcene and beta-ocimene have similar SMILES and the same Molecular Weight (136.24 g/mol) as well as the same formula (C10 H16). In addition, their chemical class is neutral organics for the both substances according to EPISuite ECOSAR v1.11. Furthermore, their log Kow and solubility have been estimated with EPISuite Kowwin v1.68 and EPISuite WSKowwin v 1.43 respectively. The log Kow and Water Solubility Estimates were in the same order (Log Kow = 4.17; WS = 9.02 mg/L and Log Kow = 4.80; WS = 2.01 mg/L for beta-myrcene and for beta-ocimene respectively. Based on all this information, it can be assumed that having similar properties and mode of action, similar environmental behaviour is expected. That is why ready biodegradation results from beta-myrcene is here extrapolated to beta-ocimene.
Qualifier:
according to
Guideline:
OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
Deviations:
yes
Remarks:
no detail on material and methods
Principles of method if other than guideline:
Not applicable
GLP compliance:
not specified
Specific details on test material used for the study:
No data
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge (adaptation not specified)
Details on inoculum:
- Concentration of sludge: 30 ppm
Duration of test (contact time):
2 wk
Initial conc.:
100 other: ppm
Based on:
test mat.
Details on study design:
No data
Preliminary study:
No data
Test performance:
No data
Parameter:
% degradation (O2 consumption)
Value:
86
Sampling time:
2 wk
Details on results:
- Indirect analysis (BOD): 86%
- Direct analysis (GC): 99%
- Direct analysis (TOC): 87%
Results with reference substance:
No data

None

Validity criteria fulfilled:
not specified
Interpretation of results:
readily biodegradable
Conclusions:
Under the test conditions, myrcene beta was readily biodegradable.
Executive summary:

In a ready biodegradation study performed according to OECD Guideline 301 C, myrcene-beta was tested at concentrations of 100 ppm and the inoculum was activated sludge (30 ppm). The degradation of the test material was assessed by the determination of the oxygen consumption.

At 100 ppm test concentration, 86% degradation by biochemical oxygen demand was reached in 2 weeks.

 

Under the test conditions, myrcene beta was readily biodegradable.

 

Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-08-04 to 2017-08-04
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
- SMILES: C(=CCCC(C(C(C1(C)C)C2)C1)=C)(C2)C
- CHEM: Bicyclo 7.2.0 undec-4-ene, 4,11,11-trimethyl-8-methylene-, 1R-(1R*,4E,9S*) -
- MOL FOR: C15 H24
- MOL WT: 204.36
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
not applicable
Details on study design:
not applicable
Preliminary study:
not applicable
Test performance:
not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
Biowin 1 (linear model prediction) = Does not Biodegrade Fast
Biowin 2 (non-linear model prediction) = Does not Biodegrade Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks-Months
Biowin 4 (Primary biodegradation timeframe) = Days-Weeks
Biowin 5 (MITI linear model prediction) = Not Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Not Readily Degradable
Biowin 7 (Anaerobic model prediction) = Does not Biodegrade Fast
Ready Biodegradability Prediction: NO
Results with reference substance:
not applicable

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
It is expected that the substance is not readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is not readily biodegradable.

Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-08-04 to 2017-08-04
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
- SMILES: CC1=CCCC(=C)C2CC(C2CC1)(C)C
- CHEM: (1Z,6Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
- MOL FOR: C15 H24
- MOL WT: 204.35
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
not applicable
Details on study design:
not applicable
Preliminary study:
not applicable
Test performance:
not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
Biowin 1 (linear model prediction) = Does not Biodegrade Fast
Biowin 2 (non-linear model prediction) = Does not Biodegrade Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks-Months
Biowin 4 (Primary biodegradation timeframe) = Days-Weeks
Biowin 5 (MITI linear model prediction) = Not Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Not Readily Degradable
Biowin 7 (Anaerobic model prediction) = Does not Biodegrade Fast
Ready Biodegradability Prediction: NO
Results with reference substance:
not applicable

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
It is expected that the substance is not readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is not readily biodegradable.

Description of key information

Based on a Weight of Evidence approach with individual data on constituents, it can be possible to consider that Clary sage oil is readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
readily biodegradable

Additional information

Based on typical composition, constituents above 1% represent 90.9% of the whole substance.

Amongst these constituents, most of them are considered as readily biodegradable (see table below):

Constituents

CAS No

Typical %*

Biodegradation results

Reference in IUCLID 6

Linalool

78-70-6

11.35

Readily biodegradable

Linalool, 78-70-6, Biodegradation in water: screening tests, MITI, 1996, RS, W

Linalyl acetate

115-95-7

67.87

Readily biodegradable

Linalyl acetate, 115-95-7, Biodegradation in water: screening tests, OECD SIDS, 1991, RS, W 

 alpha-terpineol 98 -55 -5  3.08  Readily biodegradable alpha-terpineol, 98-55-5, Biodegradation in water: screening tests, MITI, 1978, RS, W 
 beta-ocimene 13877 -91 -3  1.00  Readily biodegradable beta-ocimene, 13877-91-3, Biodegradation in water: screening tests, MITI, 1987, RS, W
 Germacrene D  37839 -63 -7 5.92   Not readily biodegradable Germacrene D, 37839-63-7, Biodegradation in water: screening tests, QSAR Biowinv4.10, RS, W 
 Beta-caryophyllene  87 -44 -5

1.68

 Not readily biodegradable  Beta-caryophyllene, 87-44-5, Biodegradation in water: screening tests, QSAR Biowinv4.10, RS, W

* Composition is based on typical %, taking into account constituents above 1%.

In total, 83.3% of the whole substance is composed by readily biodegradable constituents.

Based on a Weight of Evidence approach, it can therefore be possible to consider that the registered substance Clary sage oil is readily biodegradable.