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EC number: 945-713-6 | CAS number: -
- 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
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- Additional ecotoxological information
- Toxicological Summary
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- Acute Toxicity
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- Repeated dose toxicity
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- Specific investigations
- Exposure related observations in humans
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- Additional toxicological data

Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 26 December 2017 - 12 January 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Test method according to EEC A.8 and OECD 107. GLP study.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- (There was no analyte peak observed in the water phase of all three ratios of n-octanol/water, due to its negligible (very low) solubility in water)
- Details on results:
- There was no analyte peak observed in the water phase of all three ratios of n-octanol/water, due to its negligible (very low) solubility in water. Hence, the Partition coefficient (Log Pow) of reaction mass (fenchene, laevo alpha pinene, laevo camphene, dextro camphene) could not be determined.
- Conclusions:
- The Partition coefficient (Log Pow) of the test substance could not be determined due to its negligible (very low) solubility in water.
- Executive summary:
The partition coefficient 1-octanol/water (log Kow) of the test item was investigated according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was examined by a validated GC analytical method. There was no analyte peak observed in the water phase of all three ratios of n-octanol/water because the content in water phase was below the limit of detection of the analytical method used. Hence, the Partition coefficient (Log Pow) of reaction mass (fenchene, laevo alpha pinene, laevo camphene, dextro camphene) could not be determined.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached the QMRF and QPRF for the QSAR model
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. and P.H. Howard. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92.
- Specific details on test material used for the study:
- SMILES: C(C(CC1C2)C2)(C1(C)C)=C
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.35
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The calculated log Pow is 4.35 (EPI-Suite, EPA USA/KOWWIN v1.68).
- Executive summary:
The calculated log Pow of the test substance is 4.35 (EPI-Suite, EPA USA / KOWWIN v1.68).
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached the QMRF and QPRF for the QSAR model
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. and P.H. Howard. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92.
- Specific details on test material used for the study:
- SMILES: C(CC1C2)C(C2=C)C1(C)C
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.35
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The calculated log Pow is 4.35 (EPI-Suite, EPA USA/KOWWIN v1.68).
- Executive summary:
The calculated log Pow of the test substance is 4.35 (EPI-Suite, EPA USA / KOWWIN v1.68).
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached the QMRF and QPRF for the QSAR model
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. and P.H. Howard. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92.
- Specific details on test material used for the study:
- SMILES: C(C(CC1C2)C1(C)C)(=C2)C
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.27
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The calculated log Pow is 4.27 (EPI-Suite, EPA USA/KOWWIN v1.68).
- Executive summary:
The calculated log Pow of the test substance is 4.27 (EPI-Suite, EPA USA / KOWWIN v1.68).
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached the QMRF and QPRF for the QSAR model
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. and P.H. Howard. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92.
- Specific details on test material used for the study:
- SMILES: C(C(CC1C2)C2)(C1(C)C)=C
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.35
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The calculated log Pow is 4.35 (EPI-Suite, EPA USA/KOWWIN v1.68).
- Executive summary:
The calculated log Pow of the test substance is 4.35 (EPI-Suite, EPA USA / KOWWIN v1.68).
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 1999
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- yes
- Remarks:
- no certificate of analysis of the test substance
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.22
- Temp.:
- 37 °C
- pH:
- 7.2
- Remarks on result:
- other: standard error: 0.05
- Details on results:
- - Experimental log Kow (RP-HPLC) = 4.22 (S.E.: 0.05) at 37 °C
- Calculated log Kow = 4.99 (fragment method), 4.80 (atom /fragment contribution method) and 3.27 (atomistic method) - Conclusions:
- Under the test conditions, the partition coefficient, log Kow, of d-camphene was determined to be 4.22.
- Executive summary:
A valid study was conducted to determine the partition coefficient of d-camphene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117. Under the test conditions, the partition coefficient, log Kow, of d-camphene was determined to be 4.22 (S.E. = 0.05) at 37 °C.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 1999
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- yes
- Remarks:
- no certificate of analysis of the test substance
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.48
- Temp.:
- 37 °C
- pH:
- 7.2
- Remarks on result:
- other: standard error: 0.06
- Details on results:
- - Experimental log Kow (RP-HPLC) = 4.48 (S.E.: 0.06) at 37 °C
- Calculated log Kow = 4.34 (fragment method), 4.27 (atom /fragment contribution method) and 2.80 (atomistic method) - Conclusions:
- Under the test conditions, the partition coefficient, log Kow, of l-alpha pinene was determined to be 4.48.
- Executive summary:
A valid study was conducted to determine the partition coefficient of l-alpha pinene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117. Under the test conditions, the partition coefficient, log Kow, of l-alpha pinene was determined to be 4.48 (S.E. = 0.06) at 37 °C.
Referenceopen allclose all
KOWWIN predicted that the test substance has a log Kow of 4.35.
KOWWIN predicted that the test substance has a log Kow of 4.35.
KOWWIN predicted that the test substance has a log Kow of 4.27.
KOWWIN predicted that the test substance has a log Kow of 4.35.
Description of key information
Weight of evidence. Test item. Test method according to OECD 107 / EU Method A.8 (shake flask method), GLP study. The Partition coefficient (Log Pow) of the test substance could not be determined due to its negligible (very low) solubility in water.
Weight of evidence. D-camphene. Data from peer review publication. Test method similar to OECD Guideline 117. The partition coefficient of d-camphene was determined to be 4.22.
Weight of evidence. L-alpha pinene. Data from peer review publication. Test method similar to OECD Guideline 117. The partition coefficient of l-alpha pinene was determined to be 4.48.
Weight of evidence. EPI-Suite, KOWWIN v1.68. The calculated value of the partition coefficient 1-octanol/water (log Kow) for d-camphene, l-camphene and fenchone is 4.35 and for l-alpha pinene is 4.27.
Weight of Evidence. Test substance (reaction mass). The partition coefficient for the multi-constituent test substance has been determined to be 4.35. This value has been selected as a conservative estimate between the results obtained for d-camphene (experimental and calculated) and also taking into account that the same value is the calculated result for 3 components which represents more than 80% of the test substance.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.35
Additional information
Weight of evidence. Test item. The partition coefficient 1-octanol/water (log Kow) of the test item was investigated according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was examined by a validated GC analytical method. There was no analyte peak observed in the water phase of all three ratios of n-octanol/water because the content in water phase was below the limit of detection of the analytical method used. Hence, the Partition coefficient (Log Pow) of reaction mass (fenchene, laevo alpha pinene, laevo camphene, dextro camphene) could not be determined.
Weight of evidence. D-camphene. A valid study was conducted to determine the partition coefficient of d-camphene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117. Under the test conditions, the partition coefficient, log Kow, of d-camphene was determined to be 4.22 (S.E. = 0.05) at 37 °C.
Weight of evidence. L-alpha pinene. A valid study was conducted to determine the partition coefficient of l-alpha pinene by Reverse Phase High Performance Liquid Chromatographic method similarly to OECD Guideline 117. Under the test conditions, the partition coefficient, log Kow, of l-alpha pinene was determined to be 4.48 (S.E. = 0.06) at 37 °C.
Weight of evidence. EPI-Suite, KOWWIN v1.68. The calculated value of the partition coefficient 1-octanol/water (log Kow) for d-camphene, l-camphene and fenchone is 4.35 and for l-alpha pinene is 4.27.
Weight of Evidence. Test substance (reaction mass). The partition coefficient for the multi-constituent test substance has been determined to be 4.35. This value has been selected as a conservative estimate between the results obtained for d-camphene (experimental and calculated) and also taking into account that the same value is the calculated result for 3 components which represents more than 80% of the test substance.
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