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EC number: 290-058-5 | CAS number: 90063-97-1 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Mentha arvensis, Labiatae.
- 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:
- key study
- 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
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- NCSs, consisting of a number of constituents, do not have one single water solubility value (Sw). The range of Sw can be given from calculated or measured values of the individual constituents. Calculated and measured data on the constituents are obtained from the QSAR WaterNT v1.01 from US-EPA.
For Sw, two calculation methods are available in Wskowwin: by log Kow and by fragments of the molecule. In the calculation method based on log Kow, the estimated log Kow value is used as input for the estimation of the water solubility (QSAR on QSAR). In the calculation method based on fragments, the calculation is based on the "fragment constant" method: a structure is divided into fragments (atom or larger functional groups) and coefficient values of each fragment or group are summed together to yield the solubility estimate. The resulting estimated values are in line with the measured values of the mint constituents for which measured values are provided by the program, with the exception of 1,8-cineole. The latter has a more complex chemical structure unlike the other constituents in this group. For all other constituents, the fragments calculation method can be considered applicable and will therefore be used to estimate the water solubility of the NCS constituents. For 1,8-cineole, the measured value will be used as mentioned in WSKOWWIN. - GLP compliance:
- no
- Type of method:
- other: Estimation by calculation
- Key result
- Water solubility:
- 0.5 - 943.2 mg/L
- Temp.:
- 20 °C
- pH:
- ca. 7
- Details on results:
- No data
- Conclusions:
- Interpretation of results (migrated information): other: constituents Sw varies from slightly soluble to soluble
The range of water solubilities of the known constituents of cornmint oil is 0.5 - 3500 mg/l at 20 degrees Celsius. - Executive summary:
The water solubility of cornmint oil was estimated by calculation. Water solubilities for the known constiuents were estimated using the QSAR WSKOWWIN v 1.41 according to the fragment method, with the exception of 1,8 -cineole for which the measured value was used.
The range of water solubilities of the known constituents of cornmint oil was found to be 0.5 - 3500 mg/l at 20 degrees Celsius.
Reference
Substance | CAS | Estimated water solubility (mg/l at 20 degrees Celsius) |
L-menthol | 2216-51-5 | 941.74 |
Menthone | 89-80-5 | 895.86 |
L-limonene | 5989-54-8 | 44.388 |
alpha pinene | 7785-70-8 | 3.4834 |
betapinene | 127-91-3 | 2.6192 |
Iso-menthone | 491-07-6 | 895.86 |
neo-menthol | 2216-52-6 | 941.74 |
Menthyl Acetate | 16409-45-3 | 53.781 |
Piperitone | 89-81-6 | 135.01 |
Pulegone | 89-82-7 | 212.83 |
Iso-Pulegol | 89-79-2 | 943.2 |
Germacrene-D | 37839-63-7 | 0.81945 |
Neo-iso pulegol | 89-79-2 | 943.2 |
1,8-cineole | 470-82-6 | 551.66, measured value is 3500 mg/L |
octan-3-ol | 589-98-0 | 1285.3 |
sabinene | 3387-41-5 | 2.6192 |
Myrcene | 123-35-3 | 17.814 |
Neo-iso menthol | 89-78-1 | 941.74 |
Beta-caryophyllene | 87-44-5 | 0.54268 |
Description of key information
The range of water solubilities of the known constituents of cornmint oil was found to be 0.5 - 3500 mg/l at 20 degrees Celsius.
Key value for chemical safety assessment
Additional information
The water solubility of cornmint oil was estimated by calculation. Water solubilities for the known constiuents were estimated using the QSAR WaterNT v 1.01 according to the fragment method, with the exception of 1,8 -cineole for which the measured value was used.
The range of water solubilities of the known constituents of cornmint oil was found to be 0.5 - 3500 mg/l at 20 degrees Celsius.
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