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Diss Factsheets
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EC number: 203-777-6 | CAS number: 110-54-3
- 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
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Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: According to GLP
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.8
- Temp.:
- 20 °C
- pH:
- 7
- Conclusions:
- The log Pow of Hydrocarbons,C5-C7 n-alkanes, isoalkanes, n-hexane rich is 5.8
- Executive summary:
The log Pow of Hydrocarbons,C5-C7 n-alkanes, isoalkanes, n-hexane rich is 5.8. This study was based on a standard guideline and so is considered reliable for assessment.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Up to 2008
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP status not known, guideline not known, information from a published handbook, acceptable with restrictions.
- Principles of method if other than guideline:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to the CRC Handbook of Chemistry and Physics states that data for physical constants have been taken from many sources, including both compilations and the primary literature. Where conflicts were found, the value deemed most reliable was chosen. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 4
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Standard temperature and pressure assumed.
- Details on results:
- No data reported.
- Conclusions:
- The log partition co-efficient of Normal-Hexane is 4.
- Executive summary:
The log partition coefficient of Normal-Hexane has been taken from the CRC Handbook (Lide 2008). No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- Up to 2008
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP status not known, guideline not known, information from a published handbook, acceptable with restrictions.
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to the CRC Handbook of Chemistry and Physics states that data for physical constants have been taken from many sources, including both compilations and the primary literature. Where conflicts were found, the value deemed most reliable was chosen. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.6
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Standard temperature and pressure assumed.
- Details on results:
- No data reported.
- Conclusions:
- The log partition co-efficient of Iso-Hexane is 3.6.
- Executive summary:
The log partition coefficient of Iso-Hexane has been taken from the CRC Handbook (Lide 2008). No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. This is a peer reviewed handbook that has been cited by the US EPA in the EPISUITE modelling program. It is therefore accepted that this data source is reasonably reliable. US EPA. (2019). Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 or insert version used]. United States Environmental Protection Agency, Washington, DC, USA.
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- No method specified as data was obtained from handbook.
- GLP compliance:
- not specified
- Type of method:
- other: Not specified
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.42
- Remarks on result:
- other: pH and temp not specified
- Conclusions:
- The log Pow of 2,3-dimethylbutane is 3.42.
- Executive summary:
The log Pow of 2,3 -dimethylbutance is 3.42. No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. This is a peer reviewed handbook and it is therefore accepted that this data source is reasonably reliable
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- No method specified as data was obtained from handbook.
- Type of method:
- other: Not specified
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.82
- Remarks on result:
- other: Temp and ph not specified
- Conclusions:
- The Log Pow of 2,2-dimethylbutane is reported to be 3.82.
- Executive summary:
The Log Pow of 2,2-dimethylbutane is reported to be 3.82. No information on the primary source of this data or the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use as the key study for this endpoint.
Referenceopen allclose all
Description of key information
There is data available for this substance. Additionally, key data is available for structural analogues Hydrocarbons, C5-C7 n-alkanes, isoalkanes, n-hexane rich; Iso-Hexane; 2,2-dimethylbutane and 2,3 -dimethylbutane. The data is read across to this substance based on analogue read across and a discussion and report on the read across strategy is provided as an attachment in IUCLID Section 13.
The log partition co-efficient of Hydrocarbons, C5-C7 n-alkanes, isoalkanes, n-hexane rich is 5.8.
The log partition co-efficient of Iso-Hexane is 3.6.
The log partition co-efficient of Normal-Hexane is 4.
The log partition co-efficient of 2,2-dimethylbutane is reported to be 3.82.
The log partition co-efficient of 2,3-dimethylbutane is 3.42.
Key value for chemical safety assessment
Additional information
The information available is based on standard guidelines and peer reviewed handbook data, both considered reliable for assessment.
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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