Registration Dossier
Registration Dossier
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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 951-779-7 | CAS number: -
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-11 to 2019-12-11
- 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
- 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 : O=C(O)CCCCCCCCCCCCCCCCCCC
CHEM : Eicosanoic acid
MOL FOR: C20 H40 O2
MOL WT : 312.54 - Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-05 to 2019-12-05
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-11 to 2019-12-11
- 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
- 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 : O=C(O)CCCCCCCCCCCCC
CHEM : Tetradecanoic acid
MOL FOR: C14 H28 O2
MOL WT : 228.38 - Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-11 to 2019-12-11
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The substance is expected to be 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 test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-05 to 2019-12-05
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-05 to 2019-12-05
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Preliminary study:
- Not relevant.
- Test performance:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- See QPRF.
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-11 to 2019-12-11
- 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
- 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=C(C=C)CCCC(CCCC(CCCC(C)C)C)C
CHEM : NEOPHYTADIENE
MOL FOR: C20 H38
MOL WT : 278.53 - Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The substance is expected to be 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 test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-05 to 2019-12-05
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Preliminary study:
- Not relevant.
- Test performance:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- See QPRF.
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-05 to 2019-12-05
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Preliminary study:
- Not relevant.
- Test performance:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- See QPRF.
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-05 to 2019-12-05
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Preliminary study:
- Not relevant.
- Test performance:
- Not relevant.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- See QPRF.
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019-12-03 to 2019-12-03
- 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
- 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:
- None.
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on inoculum:
- Not relevant.
- Details on study design:
- Not relevant.
- Preliminary study:
- See QPRF.
- Test performance:
- See QPRF.
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Details on results:
- See QPRF.
- Results with reference substance:
- Not applicable.
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is expected to be 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 readily biodegradable.
Referenceopen allclose all
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Description of key information
Based on a weight of evidence approach with data on constituents, the registered substance can not be considered readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Individual data about the ready biodegradability of the major known constituents of the substance are provided in the table below:
| Constituent | Concentration % in the NCS | Biodegradation results |
| Constituent 1 | 17.1 | Not readily biodegradable |
| Constituent 2 | 1.77 | Not readily biodegradable |
| Constituent 3 | 7.53 | Readily biodegradable |
| Constituent 4 | 16.12 | Readily biodegradable |
| Constituent 5 | 4.38 | Readily biodegradable |
| Constituent 6 | 1.41 | Readily biodegradable |
| Constituent 7 | 9.73 | Readily biodegradable |
| Constituent 8 | 8.47 | Readily biodegradable |
| Constituent 9 | 12.44 | Readily biodegradable |
| Constituent 10 | 1.09 | Readily biodegradable |
| Constituent 11 | 1.75 | Readily biodegradable |
Based on the typical composition, 81.79% of the NCS is considered as known.
With a minimum theoric biodegradation of 60% of DOC for each readily biodegradable constituent (minimum pass level during a test for ready biodegradability according to OECD guidance 301) , a minimum of 37.75% of DOC of the NCS would be biodegraded during a screening test on ready biodegradability (based on typical composition).
Thus, the NCS can not be considered as being readily biodegradable.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
