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EC number: 289-339-5 | CAS number: 87741-01-3
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well documented publication which meets basic scientific principles
Data source
Referenceopen allclose all
- Reference Type:
- other: EU Risk Assessment
- Title:
- European Union Risk Assessment Report 1,3-BUTADIENE, CAS No: 106-99-0, EINECS No:203-450-8
- Author:
- [ECB] European Chemicals Bureau
- Year:
- 2 002
- Bibliographic source:
- published; It can be accessed through the Europa Server (http://europa.eu.int).
- Reference Type:
- publication
- Title:
- No information
- Author:
- Banerjee S & Howard PH
- Year:
- 1 988
- Bibliographic source:
- Environ. Sci. Technol. 22: 839-841
- Reference Type:
- review article or handbook
- Title:
- Substituent Constants for Correlation Analysis in Chemistry and Biology
- Author:
- Hansch C & Leo AJ
- Year:
- 1 979
- Bibliographic source:
- John Wiley and Sons
- Reference Type:
- publication
- Title:
- Partition coefficients of simple organic compounds
- Author:
- Sangster J
- Year:
- 1 989
- Bibliographic source:
- J. Phys. Chem. Ref. Data 18: 1111-1229
Materials and methods
- Principles of method if other than guideline:
- EU Risk Assessment on the major component of C4 Hydrocarbons: 1,3-Butadiene
- GLP compliance:
- not specified
- Type of method:
- other: EU Risk Assessment on the major component of C4 Hydrocarbons: 1,3-Butadiene
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Buta-1,3-diene
- EC Number:
- 203-450-8
- EC Name:
- Buta-1,3-diene
- Cas Number:
- 106-99-0
- Molecular formula:
- C4H6
- IUPAC Name:
- buta-1,3-diene
- Details on test material:
- - Name of test material (as cited in study report): 1,3-butadiene
- CAS number: 106-99-0
- EINECS number: 203-450-8
Constituent 1
Study design
- Analytical method:
- not specified
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- ca. 1.85
- Type:
- log Pow
- Partition coefficient:
- ca. 1.902
- Type:
- log Pow
- Partition coefficient:
- ca. 2.22
- Type:
- log Pow
- Partition coefficient:
- ca. 1.99
Any other information on results incl. tables
EU Risk Assessment on the major component of C4 Hydrocarbons: 1,3-Butadiene: Value of log Pow=2.22 was calculated by Banerjee and Howard (1988) utilized the UNIFAC-derived activity coefficient, to which a simple correction regression was applied. The method was validated using experimental data from Hansch and Leo (1979) (log Pow= 1.99), which showed that compounds on the extreme ends of the Kow scale were most sensitive to errors in estimation. Value of logPow=1.902 was calculated by Huls (company data unpublished, 1989) using the Medchem program and has been validated for pure, non-ionic substances (Huls, 1989, unpublished). Value of log Pow=1.85 is experimental and was reported by Huls (company unpublished data, 1989). Value of logPow=1.99±0.1 was also reported by Sangster (1989) as an experimental value.
Applicant's summary and conclusion
- Executive summary:
Octanol/water partition coefficient of the major component of C4 Hydrocarbons: 1,3-butadiene was reported in EU Risk Assessment Report (2002) as having values of log Pow from1.85 to 1.99 (experimental values according to different literature sources) and log Pow from 1.902 to 2.22 (calculated values according to different literature sources).
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