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Diss Factsheets
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EC number: 947-974-1 | 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
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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)
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. P.H. Howard and R.S. Boethling. 1996. Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.
- Specific details on test material used for the study:
- SMILES: C(=CC=C(C1)C)(C1)C(C)C
- Key result
- Water solubility:
- 5.915 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The calculated water solubility is 5.915 mg/L at 25ºC (EPI-Suite, EPA USA/WSKOW v1.42).
- Executive summary:
The calculated water solublity at 25ºC of the test substance is 5.915 mg/L (EPI-Suite, EPA USA/WSKOW v1.42).
- Endpoint:
- water solubility
- 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)
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. P.H. Howard and R.S. Boethling. 1996. Improved method for estimating water solubility from octanol/water partition coefficient. Environ. Toxicol. Chem. 15: 100-106.
- Specific details on test material used for the study:
- SMILES: C(=CCC(C(=C)C)C1)(C1)C
- Key result
- Water solubility:
- 4.581 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The calculated water solubility is 4.581 mg/L at 25ºC (EPI-Suite, EPA USA/WSKOW v1.42).
- Executive summary:
The calculated water solublity at 25ºC of the test substance is 4.581 mg/L (EPI-Suite, EPA USA/WSKOW v1.42).
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Remarks:
- Data from a publication
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Data obtained from an acceptable standardized test method
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- flask method
- Key result
- Water solubility:
- 0.15 other: mmol/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: 95 % confidence limits: ± 0.015 mmol/L; Result 0.150± 0.015 mmol/L corresponds to 20.43± 2.04mg/L
- Conclusions:
- The water solubility of d-limonene at 25 °C is 0.150 ± 0.015 mmol/L, what corresponds to 20.43 ± 2.04 mg/L
- Executive summary:
A study on water solubility on several monoterpenes was conducted using a method similar to fllask method (OECD guideline 105). Under the test conditions, the water solubility of d-limonene at 25 °C was determined to be 0.150 ± 0.015 mmol/L, what corresponds to 20.43 ± 2.04 mg/L.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Data obtained from an acceptable standardized test method
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- flask method
- Key result
- Water solubility:
- 0.037 other: mmol/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: 95 % confidence limits: ± 0.004 mmol/L; Result 0.037± 0.004 mmol/L corresponds to 5.041± 0.5 mg/L
- Conclusions:
- The water solubility of l-alpha pinene at 25 °C is 0.037 ± 0.004 mmol/L, what corresponds to 5.04 ± 0.5 mg/L
- Executive summary:
A study on water solubility on several monoterpenes was conducted using a method similar to fllask method (OECD guideline 105). Under the test conditions, the water solubility of l-alpha pinene at 25 °C was determined to be 0.037 ± 0.004 mmol/L, what corresponds to 5.04 ± 0.5 mg/L.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Remarks:
- Data from a publication
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Documented study similar to an internationally accepted guideline.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- flask method
- Key result
- Water solubility:
- 0.041 other: mmol/L
- Conc. based on:
- test mat.
- Temp.:
- 23.5 °C
- Remarks on result:
- other: CL: ± 0.0007 mmol/L; Result 0.041± 0.0007 mmol/L which corresponds to 5.58± 0.09 mg/L
- Conclusions:
- The water solubility of d-limonene at 23.5 °C is 0.041 ± 0.0007 mmol/L, which corresponds to 5.58 ± 0.09 mg/L
- Executive summary:
A study on water solubility on several monoterpenes was conducted using a method similar to fllask method (OECD guideline 105). Under the test conditions, the water solubility of d-limonene at 23.5 °C was determined to be 0.041 ± 0.0007 mmol/L, what corresponds to 5.58 ± 0.09 mg/L.
- Endpoint:
- water solubility
- Type of information:
- other: Data from peer reviewed publication
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- No data on test method
- GLP compliance:
- not specified
- Type of method:
- other: Not specified
- Key result
- Water solubility:
- 4.6 mg/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: No data on test conditions
- Conclusions:
- The water solubility of camphene is 4.6 mg/L.
- Executive summary:
The water solubility of camphene is 4.6 mg/L.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Study conducted similarly to OECD Guideline 105 but with deviations.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- no data on preliminary test; no data on pH; individual analytical determinations not reported
- GLP compliance:
- not specified
- Type of method:
- flask method
- Key result
- Water solubility:
- 12.3 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 298.15 K
- pH:
- 7
- Details on results:
- Mutual solubilities in mole fraction of binary system (water + limonene) at 298.15 K:
- limonene in water: 0.00000163
- water in limonene: 0.0052 - Conclusions:
- Under the test conditions, the solubility of R(+)-limonene in water at 298.15 K was measured to be 12.3 mg/L (0.00000163 in mole fraction).
- Executive summary:
A study was conducted similarly to OECD Guideline 105 using flask method to determine the solubility of R(+)-limonene in water. Under the test conditions, the solubility of R(+)-limonene in water at 298.15 K was measured to be 12.3 mg/L (0.00000163 in mole fraction).
Referenceopen allclose all
WSKOW predicted that the test substance has a water solubility of 5.915 mg/L at 25ºC.
WSKOW predicted that the test substance has a water solubility of 4.581 mg/L at 25ºC.
Description of key information
Weight of evidence: Individual water solubilities of the main components are available from experimental tests and EpiSuite calculation. The water solubility range of the main components is between 4.58 and 5.58 mg/L. The water solubility of the test substance has been determined to be the lowest of the major components, i.e. 4.58 mg/L.
Key value for chemical safety assessment
- Water solubility:
- 4.58 mg/L
- at the temperature of:
- 25 °C
Additional information
Weight of evidence: Individual water solubilities of the main components are available from experimental tests and EpiSuite calculation:
L-Limonene: EPI-Suite, WSKOW v1.42. The water solubility is 4.581 mg/L (at 25 ºC)
D-Limonene: Test method equivalent to OECD Guideline 105 (Tamura K, 2005). The water solubility is 12.3 mg/L (at 25 ºC).
D-Limonene: Test method equivalent to OECD Guideline 105 (Fichan I, 1999). The water solubility is 20.43 mg/L (at 25 ºC).
D-Limonene: Test method equivalent to OECD Guideline 105 (Li J, 1998). The water solubility is 5.58 mg/L (at 23.5 ºC).
Camphene: Peer reviewed publication (MITI, 1992). The water solubility is 4.6 mg/L.
Alpha terpinene: EPI-Suite, WSKOW v1.42. The water solubility is 5.915 mg/L (at 25 ºC).
Alpha pinene: Test method equivalent to OECD Guideline 105 (Fichan I, 1999). The water solubility is 5.04 mg/L (at 25 ºC).
Based on the composition of the substance, a weight of evidence approach was applied and the water solubility of the substance was determined to be 4.58 mg/L (lowest value as the worst case scenario).
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.
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