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Diss Factsheets
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EC number: 701-122-3 | CAS number: 106185-75-5
- 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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Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Koc value calculated by using a QSAR Method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Calculations based on structure activity.See QMRF and QPRF in "Attached background material".
- GLP compliance:
- no
- Remarks:
- Not applicable
- Type of method:
- other: QSAR
- Media:
- other: QSAR
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Remarks:
- Not applicable
- Computational methods:
- Koc has been calculated a Log Kow of 4.4 as input using the following equations:For non-polar compound (no correction factor):log Koc = 0.8679 Log Kow - 0.0004(n = 68, r2 = 0.877, std dev = 0.478, avg dev = 0.371)With correction factors:log Koc = 0.55313 Log Kow + 0.9251 + ΣPfNwhere ΣPfN is the summation of the products of all applicable correction factor coefficients multiplied by the number of times (N) that factor is counted for the structure.
- Key result
- Type:
- Koc
- Value:
- ca. 886 dimensionless
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Koc of substance CAS 106185-75-5 predicted from the log Kow value is 886.
- Executive summary:
Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.0 software.
The Koc of substance CAS 106185-75-5 predicted from the log Kow value is 886 L/kg (log Kow = 4.4).- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Koc value calculated by using a QSAR Method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Calculations by Molecular Connectivity Index (MCI)
- GLP compliance:
- no
- Remarks:
- Not applicable
- Type of method:
- other: QSAR
- Media:
- other: QSAR
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Remarks:
- Not applicable
- Computational methods:
- Log
- Key result
- Type:
- Koc
- Value:
- ca. 872.1 dimensionless
- Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Koc of substance CAS 106185-75-5 predicted from log Kow and KOCWIN v2.00 (EPISUITE 4.0 software) is 872.1
- Executive summary:
Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.0 software.
The Molecular Connectivity Index method predicted the following Koc: 872.1 L/kg.- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- Not applicable
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Koc value calculated by using a QSAR Method without QMRF developped
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Koc was calculated from Log Kow according to equations from TGD 2003.
- GLP compliance:
- no
- Remarks:
- Not applicable
- Type of method:
- other: QSAR
- Media:
- other: QSAR
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Remarks:
- Not applicable
- Computational methods:
- Koc was calculated from Log Kow according to equations defined by Sabljic and Güsten (1995) for non hydrophobic substances as reported in the TGD, 2003: logKoc = 0.52 logKow + 1.02
- Key result
- Type:
- Koc
- Value:
- ca. 2 032 dimensionless
- Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Koc of substance CAS 106185-75-5 predicted from log Kow following equations of Sabljic and Güsten (1995) for non hydrophobic susbtances is 2032 L/Kg
- Executive summary:
Koc has been predicted by calculations from log Kow using equations of Sabljic and Güsten (1995) for non hydrophobic susbtances.
The predicted Koc of substance CAS 106185-75-5 is 2032 L/kg (log Kow = 4.4).
Referenceopen allclose all
Description of key information
Koc has been estimated by the geometric mean of three QSAR data.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 162.3
Additional information
The adsorption coefficient (log Koc) was estimated by three QSAR models:
- KOCWIN v2.00 in EPI Suite (v4.0) - MCI method using log Kow
- KOCWIN v2.00 in EPI Suite (v4.0) - log Kow method
- A model described in Technical Guidance on Risk Assessment (European Chemicals Bureau, 2003) - Part III, Chapter 4, table 4, equation for non hydrophobic substances
The estimated Koc of 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-(2E)-buten-1-ol is 1162.3 L/kg (geometric mean of three QSAR models).
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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