Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Diss Factsheets
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
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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
ECOSAR (version 1.11)
3. CHEMICAL NAME: 1,5-Hexadiene
CAS#: 592-42-7
SMILES: C(=C)CCC=C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The ECOSAR 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 substance adequately falls within the applicability domain of the model.
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:
- Mayo-Bean, K. 2012. The ECOSAR (ECOlogical Structure Activity Relationship) Class program for Microsoft Windows. 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
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 7.133 mg/L
- Remarks on result:
- other: QSAR predicted value
- Dose descriptor:
- NOEC
- Effect conc.:
- 2.234 mg/L
- Remarks on result:
- other: QSAR predicted value
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
The substance, Hexa-1,5-diene is known to be highly volatile, with an experimental vapour pressure of 29500 Pa (at 25°C) having been reported in the EpiSuite (version 4.11) experimental database. Given the very high volatility of the substance, it is concluded that testing is not technically feasible and as such the ecotoxicity of the substance has instead been predicted via QSAR models.
Referenceopen allclose all
ECOSAR (version 1.11) predicted that Hexa-1,5-diene has a 96 hour EC50 value of 7.133 mg/L and a chronic NOEC value of 2.234 mg/L to Green Algae.
Description of key information
The substance, Hexa-1,5-diene is known to be highly volatile, with an experimental vapour pressure of 29500 Pa (at 25°C) having been reported in the EpiSuite (version 4.11) experimental database. Given the very high volatility of the substance, it is concluded that testing is not technically feasible and as such the ecotoxicity of the substance has instead been predicted via QSAR models.T
he toxicity of Hexa-1,5-diene to aquatic algae and cyanobacteria has been predicted via the ECOSAR (version 1.11) QSAR within the EpiSuite software (version 4.11). The QSAR model fulfils 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 toxicity to algae and cyanobacteria data requirement.
The predicted toxicity values of Hexa-1,5-diene to green algae were a 96 h EC50 of 7.133 mg/L and a chronic NOEC of 2.234 mg/L.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 7.133 mg/L
- EC10 or NOEC for freshwater algae:
- 2.234 mg/L
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.