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Diss Factsheets
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EC number: 248-570-1 | CAS number: 27610-92-0
- 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
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Long-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to fish, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: A QSAR model, ECOSAR was used to estimate long-term toxicity to fish.
- Justification for type of information:
- QSAR prediction from reliable model
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the long-term toxicity to fish. The following measured values were used in the model: log Kow = 4.33 and water solubility = 21.7 mg/L.
- Test organisms (species):
- other: fish
- Water media type:
- freshwater
- Key result
- Duration:
- 30 d
- Dose descriptor:
- other: chronic value (geometric mean of NOEC and LOEC)
- Effect conc.:
- 1.675 mg/L
- Key result
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 1.184 mg/L
- Details on results:
- As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value by dividing the chronic by the square root of 2. Therefore, the calculated NOEC = 1.184 mg/L and will be used in the assessment.
- Conclusions:
- Using a reliable QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the 30d ChV for fish to be 1.675 mg/L.
- Executive summary:
A reliable QSAR model (Ecological Structure-Activity Relationship (ECOSAR) version 1.11) was used to predict the chronic aquatic toxicity of 2 -butyloctanoic acid to fish. The 30 day chronic value (the geometric mean of the NOEC and LOEC) was 1.675 mg/L for the neutral organic class. As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value. Therefore, the calculated NOEC = 1.184 mg/L and will be used in the assessment.
Reference
Description of key information
The long-term toxicity of 2 -butyloctanoic acid was estimated using a QSAR model. The 30 day ChV was 1.675 mg/L and the calculated NOEC was 1.184 mg/L.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 1.184 mg/L
Additional information
No reliable experimental long-term toxicity studies with fish are available for 2-butyloctanoic acid. However reliable (Klimisch 2) modeled data are available and included in the dossier.
Sasol (2017) provided reliable (Klimisch 2) data for 2-butyloctanoic acid using the QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program to estimate long-term toxicity to fish. The ECOSAR model estimates aquatic toxicity based on the structural similarity to chemicals for which aquatic studies are available. In addition, the log Kow and molecular weight of 2-butyloctanoic acid are within the criteria (max log Kow = 7 for acute, 8 for chronic and max molecular weight = 1000) and domain of the model. The measured log Kow of 4.33 was used in the model. Model results indicate a 30 day chronic value (the geometric mean of the NOEC and LOEC) to be 1.675 mg/L using the baseline toxicity equation. As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value. Therefore, the calculated NOEC is 1.184 mg/L.
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.
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