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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 209-754-7 | CAS number: 592-42-7
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 23 May 2018
- 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
EpiSuite (version 4.11)
2. MODEL
BIOWIN (version 4.10)
3. SMILES: C(=C)CCC=C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The BIOWIN QSAR is a well-established and widely used model that is integrated in the EpiSuite software and is known to be accepted by the European Chemicals Agency (ECHA). As such, the QSAR model is considered to be scientifically valid.
5. APPLICABILITY DOMAIN
The QSAR used for the prediction has no applicability domain.
6. ADEQUACY OF THE RESULT
The predicted result is considered to be adequate for the purpose of classification and labelling and/or risk assessment. - Guideline:
- other: REACH Guideline on QSARs R.6
- Principles of method if other than guideline:
- U.S. EPA. 2010. BIOWIN v4.10. U.S. Environmental Protection Agency, Office of Chemical Safety and Pollution Prevention, MC 7101M, 1200 Pennsylvania Avenue, N.W., Washington, DC 20460.
- Specific details on test material used for the study:
- SMILES: C(=C)CCC=C
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Value:
- >= 70
- Remarks on result:
- other: QSAR predicted value
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 23 May 2018
- 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
VEGA (Version 1.1.4)
2. MODEL
Ready Biodegradability model (IRFMN) (version 1.0.9)
3. SMILES: C=CCCC=C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The Ready Biodegradability model (IRFMN) 1.0.9 QSAR is a well-established and widely used model that is in the VEGA software and is known to have been accepted by the European Chemicals Agency (ECHA). As such, the QSAR model is considered to be scientifically valid.
5. APPLICABILITY DOMAIN
Although there is some degree of uncertainty as to whether the predicted compound falls within the applicability domain of the model, the prediction is considered suitable enough to provide supporting weight of evidence of the ready biodegradability of the compound.
6. ADEQUACY OF THE RESULT
Although the predicted result is considered to be of moderate reliability, it is considered suitable enough to provide supporting weight of evidence of the ready biodegradability of the compound. - Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- VEGA Hub. 2017. VEGA (version 1.1.4). Laboratory of Environmental Chemistry and Toxicology. Via Giuseppe La Masa 19, 20156, Milan, Italy.
- Specific details on test material used for the study:
- SMILES: C=CCCC=C
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Value:
- >= 70
- Remarks on result:
- other: QSAR predicted value
Referenceopen allclose all
BIOWIN (version 4.10) predicted that Hexa-1,5-diene is readily biodegradable.
The Ready Biodegradability model (IRFMN) (version 1.0.9) QSAR model within the VEGA software (version 1.1.4) predicted that Hexa-1,5-diene is possibly readily biodegradable.
Description of key information
The biodegradability of Hexa-1,5-diene has been predicted via the Ready Biodegradability model (IRFMN) (version 1.0.9) QSAR within the VEGA software (version 1.1.4) and the BIOWIN (version 4.10) QSAR within the EpiSuite software (version 4.11). Both QSAR models fulfil the OECD principles for QSAR model validation and the substance adequately falls within the applicability domain of the models. As such, the prediction results are considered adequate for addressing the biodegradation data requirement.
Hexa-1,5-diene was predicted to be readily biodegradable according to the BIOWIN (v. 4.10) QSAR and potentially readily biodegradable according to the Ready Biodegradability model (IRFMN) (v. 1.0.9) QSAR. As such, it is concluded that Hexa-1,5-diene is readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
- Type of water:
- freshwater
Additional information
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.
