Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 430-050-2 | CAS number: -
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water and sediment: simulation testing, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- The biodegradability is estimated by calculation from molecular fragments using the models BioWin3 and BioWin5 (BIOWIN v4.10). Criteria for the "yes" or "no" prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- CAS Number: 123-26-2SMILES : CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)OCHEM : 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamideMOL FOR: C38 H76 N2 O4MOL WT : 625.04
- Radiolabelling:
- not specified
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on results:
- Biowin3 (Ultimate Biodegradation Timeframe): Weeks-MonthsBiowin5 (MITI Linear Model Prediction): Biodegrades FastReady Biodegradability Prediction: No
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- From the calculations it can be expected that the test material is not readily biodegradable.
- Executive summary:
The given biodegradability of 12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide is calculated from BIOWIN 4.10 using the models BioWin3 and BioWin5. From the combined results it can be concluded that the test material is not readily biodegradable. EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
- Endpoint:
- biodegradation in water and sediment: simulation testing, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- The biodegradability is estimated by calculation from molecular fragments using the models BioWin3 and BioWin5 (BIOWIN v4.10). Criteria for the "yes" or "no" prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- CAS Number: 146781-64-8SMILES : CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)OCHEM : N-[2-(decanoylamino)ethyl]-12-hydroxyoctadecanamideMOL FOR: C30 H60 N2 O3MOL WT : 496.82
- Radiolabelling:
- not specified
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on results:
- Biowin3 (Ultimate Biodegradation Timeframe): Weeks-MonthsBiowin5 (MITI Linear Model Prediction): Biodegrades FastReady Biodegradability Prediction: No
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- From the calculations it can be expected that the test material is not readily biodegradable.
- Executive summary:
The given biodegradability of N-[2 -(decanoylamino)ethyl]-12 -hydroxyoctadecanamidei s calculated from BIOWIN 4.10 using the models BioWin3 and BioWin5. From the combined results it can be concluded that the test material is not readily biodegradable. EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
- Endpoint:
- biodegradation in water and sediment: simulation testing, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- The biodegradability is estimated by calculation from molecular fragments using the models BioWin3 and BioWin5 (BIOWIN v4.10). Criteria for the "yes" or "no" prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- CAS Number: 51139-08-3SMILES : CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCHEM : N-[2-(decanoylamino)ethyl]decanamideMOL FOR: C22 H44 N2 O2MOL WT : 368.61
- Radiolabelling:
- not specified
- Oxygen conditions:
- not specified
- Inoculum or test system:
- not specified
- Details on results:
- Biowin3 (Ultimate Biodegradation Timeframe): WeeksBiowin5 (MITI Linear Model Prediction): Biodegrades FastReady Biodegradability Prediction: Yes
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- From the calculations it can be expected that the test material is readily biodegradable.
- Executive summary:
The given biodegradability of N-[2-(decanoylamino)ethyl]decanamide is calculated from BIOWIN 4.10 using the models BioWin3 and BioWin5. From the combined results it can be concluded that the test material is readily biodegradable. EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
Referenceopen allclose all
Result Classification:
BioWin3: 5.00 -> hours, 4.00 -> days, 3.00 -> weeks, 2.00 -> months, 1.00 -> longer
BioWin5: A probability greater than or equal to 0.5 indicates readily degradable. A Probability less than 0.5 indicates not readily degradable.
| Biowin3 | ||||
| Type | Num | Biowin3 Fragment Description | Coeff | Value |
| Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.5967 |
| Frag | 2 | Aliphatic alcohol [-OH] | 0.1600 | 0.3199 |
| Frag | 2 | Amide [-C(=O)-N or -C(=S)-N] | -0.0542 | -0.1084 |
| MolWt | * | Molecular Weight Parameter | -1.3813 | |
| Const | * | Equation Constant | 3.1992 | |
| RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | 2.6261 | ||
| Biowin5 | ||||
| Type | Num | Biowin5 Fragment Description | Coeff | Value |
| Frag | 2 | Aliphatic alcohol [-OH] | 0.1611 | 0.3223 |
| Frag | 2 | Amide [-C(=O)-N or -C(=S)-N] | 0.1266 | 0.2533 |
| Frag | 2 | Methyl [-CH3] | 0.0004 | 0.0008 |
| Frag | 32 | -CH2- [linear] | 0.0494 | 1.5813 |
| Frag | 2 | -CH- [linear] | -0.0507 | -0.1013 |
| MolWt | * | Molecular Weight Parameter | -1.8595 | |
| Const | * | Equation Constant | 0.7121 | |
| RESULT | Biowin5 (MITI Linear Biodeg Probability) | 0.9090 | ||
Result Classification:
BioWin3: 5.00 -> hours, 4.00 -> days, 3.00 -> weeks, 2.00 -> months, 1.00 -> longer
BioWin5: A probability greater than or equal to 0.5 indicates readily degradable. A Probability less than 0.5 indicates not readily degradable.
| Biowin3 | ||||
| Type | Num | Biowin3 Fragment Description | Coeff | Value |
| Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.5967 |
| Frag | 1 | Aliphatic alcohol [-OH] | 0.1600 | 0.1600 |
| Frag | 2 | Amide [-C(=O)-N or -C(=S)-N] | -0.0542 | -0.1084 |
| MolWt | * | Molecular Weight Parameter | -1.0979 | |
| Const | * | Equation Constant | 3.1992 | |
| RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | 2.7495 | ||
| Biowin5 | ||||
| Type | Num | Biowin5 Fragment Description | Coeff | Value |
| Frag | 1 | Aliphatic alcohol [-OH] | 0.1611 | 0.1611 |
| Frag | 2 | Amide [-C(=O)-N or -C(=S)-N] | 0.1266 | 0.2533 |
| Frag | 2 | Methyl [-CH3] | 0.0004 | 0.0008 |
| Frag | 25 | -CH2- [linear] | 0.0494 | 1.2354 |
| Frag | 1 | -CH- [linear] | -0.0507 | -0.0507 |
| MolWt | * | Molecular Weight Parameter | -1.4781 | |
| Const | * | Equation Constant | 0.7121 | |
| RESULT | Biowin5 (MITI Linear Biodeg Probability) | 0.8340 | ||
Result Classification:
BioWin3: 5.00 -> hours, 4.00 -> days, 3.00 -> weeks, 2.00 -> months, 1.00 -> longer
BioWin5: A probability greater than or equal to 0.5 indicates readily degradable. A Probability less than 0.5 indicates not readily degradable.
| Biowin3 | ||||
| Type | Num | Biowin3 Fragment Description | Coeff | Value |
| Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.5967 |
| Frag | 2 | Amide [-C(=O)-N or -C(=S)-N] | -0.0542 | -0.1084 |
| MolWt | * | Molecular Weight Parameter | -0.8146 | |
| Const | * | Equation Constant | 3.1992 | |
| RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | 2.8729 | ||
| Biowin5 | ||||
| Type | Num | Biowin5 Fragment Description | Coeff | Value |
| Frag | 2 | Amide [-C(=O)-N or -C(=S)-N] | 0.1266 | 0.2533 |
| Frag | 2 | Methyl [-CH3] | 0.0004 | 0.0008 |
| Frag | 18 | -CH2- [linear] | 0.0494 | 0.8895 |
| MolWt | * | Molecular Weight Parameter | -1.0966 | |
| Const | * | Equation Constant | 0.7121 | |
| RESULT | Biowin5 (MITI Linear Biodeg Probability) | 0.7591 | ||
Description of key information
The calculations by EPI Suite BioWin predict that two of the three constituents are not readily biodegradable. Only N-[2-(decanoylamino)ethyl]decanamide (CAS 51139-08-3) is calculated as being readily biodegradable.
Key value for chemical safety assessment
Additional information
The given biodegradability is calculated from BIOWIN 4.10 using the models BioWin3 and BioWin5. From the combined results it can be concluded, that the substance is not readily biodegradable. Nevertheless, the EPA recommends that EPI Suite is a screening-level tool and should not be used if acceptable measured values are available.
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.
