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EC number: 204-376-9 | CAS number: 120-20-7
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
Description of key information
The substance is readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
QSAR Disclaimer
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of 3,4 -dimethoxyphenethylamine (CAS 120 -20 -7) (Q)SAR results were used for aerobic biodegradability in water. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, further experimental studies on aerobic biodegradability in water are not provided.
Assessment
The test substance was degraded by 90 -100 % after 9 days in a study on the inherent biodegradability conducted according to OECD guideline 302B (BASF, 1988). Since industrial sludge was used as inoculum, it cannot be concluded whether the substance can be considered as inherently biodegradable, although a high rate of DOC removal was observed after 7 d of exposure.
As an inherent biodegradability test is not suitable to assess the ready biodegradability of a substance, the biodegradability was assessed based on a weight of evidence approach including QSAR data for the substance itself as well as read-across data for the structurally similar 4 -Allylveratrole (CAS 93 -15 -2) and 3,4-Dimethoxyphenylacetonitrile (CAS 93 -17 -4).
In order to assess the biodegradation potential of the test substance, an OECD 301C study was performed with source chemical 4 -Allylveratrole (CAS 93 -15 -2) (ECHA disseminated data: NITE). As inoculum, a mixture of sewage, soil and natural water from ten different sampling sites was used. After 28 days, a degradation (O2 consumption) of 89% was observed. Hence, the substance can be considered readily biodegradable according to OECD criteria. The next study with another similar compound 3,4-Dimethoxyphenylacetonitrile (CAS 93 -17 -4) was performed according OECD 301A guideline. As inoculum, a domestic activated sludge was used. Based on a degradation of 90 - 100% (DOC removal) within 28 d, the substance is readily biodegradable according to OECD criteria.
In addition, the biodegradation potential was calculated for the test substance 3,4-Dimethoxyphenethylamine (CAS 120-20-7) with several estimation models. The table below lists the result from the described above OECD studies with the structurally analogous substances 4 -Allylveratrole (CAS 93 -15 -2) and 3,4-Dimethoxyphenylacetonitrile (CAS 93 -17 -4) and, in addition, the applied (Q)SAR models, the estimated biodegradation and basic information on the applicability domain (AD) for the target substance. Detailed information on the model’s results and the AD are given in the endpoint study records of IUCLID Chapter 5.2.1. The selected models comply with the OECD principles for (Q)SAR models.
Summary of relevant information on biodegradation in water: Predicted Biodegradation potential for applied QSAR models:
(AD = Applicability Domain)
Model |
Biodegradability |
In AD |
Remarks |
RA Substance4 -Allylveratrole (CAS 93 -15 -2) |
|||
OECD 301C Study (BASF AG, 1984; ECHA disseminated data) |
Readily biodegradable |
- |
Degradation of 89% (O2 consumption) within 28 d degradation of 99% (TOC removal) within 28 days |
RA Substance 3,4-Dimethoxyphenylacetonitrile (CAS 93 -17 -4) |
|||
OECD 301A Study (BASF AG, 2003, Report no. 02/065/21/1 |
Readily biodegradable |
- |
Degradation of 90 - 100% (DOC removal) within 28 d |
Target Substance 3,4-Dimethoxyphenethylamine (CAS 120-20-7) |
|||
OECD 302B Study (BASF AG, 1988, Report no. 01.0401/88) |
Inherently biodegradable |
- |
Since industrial sludge was used, it cannot be concluded whether the substance can be considered as inherently biodegradable or not although a high rate of DOC removal was observed after 7 d of exposure (90-100% of degradation). |
BIOWIN v4.10 (EPI Suite v4.11) |
Readily biodegradable |
Within the AD with exception of the submodels BIOWIN 3 and 4. |
Biowin1, 2, 5, 6, 7: Biodegrades fast; Biowin3: Weeks - Months; Biowin4: Days - weeks |
Ready Biodegradability v1.0.9 (VEGA v1.1.3) |
Possibly readily biodegradable |
No |
Similar molecules found in the training set have experimental values that disagree with the predicted value |
Catalogic Kinetic OECD 301B v02.09 (Catalogic v5.11.19) |
Not readily biodegradable |
Yes |
Degradation of 22.3% (CO2 evolution) within 28 d
|
Catalogic OECD 301C v09.13 (Catalogic v5.11.19) |
Readily biodegradable |
Yes |
Degradation of 71% (BOD) within 28 d
|
Catalogic Kinetic OECD 301F v13.16 (Catalogic v5.11.19) |
Readily biodegradable |
Yes |
Degradation of 86% (BOD) within 28 d
|
Considering the experimental results for 3,4-Dimethoxyphenethylamine (CAS 120-20-7) and respecting studies performed with both similar compounds (CAS 93-15-2 and CAS 93-17-4), the substances are considered to be readily biodegradable according to OECD criteria. All calculation models estimated the target substance 3,4-Dimethoxyphenethylamine (CAS 120-20-7) to be readily biodegradable, except the model Catalogic OECD 301B v02.09 which indicated the test substance 3,4-Dimethoxyphenethylamine (CAS 120-20-7) to be not readily biodegradable. The substance was within the AD of all submodels of Catalogic, but it was out of the AD of VEGA v1.1.3 and not within the AD of BIOWIN 3 and 4 (BIOWIN v4.10; EPI Suite v4.11).
Based on a weight-of-evidence approach with experimental and calculated data, 3,4-Dimethoxyphenethylamine (CAS 120-20-7) is considered to be readily biodegradable (according to OECD criteria).
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