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EC number: 272-683-5 | CAS number: 68908-82-7
- 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
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: slow-stirring experiment
Test material
- Reference substance name:
- η-1H-indol-3-yl-α,α,ε-trimethyl-1H-indole-3-heptanol
- EC Number:
- 267-434-2
- EC Name:
- η-1H-indol-3-yl-α,α,ε-trimethyl-1H-indole-3-heptanol
- Cas Number:
- 67860-00-8
- Molecular formula:
- C26H32N2O
- IUPAC Name:
- 8,8-di(1H-indol-3-yl)-2,6-dimethyloctan-2-ol
- Reference substance name:
- Indole
- EC Number:
- 204-420-7
- EC Name:
- Indole
- Cas Number:
- 120-72-9
- Molecular formula:
- C8H7N
- IUPAC Name:
- 1H-indole
- Reference substance name:
- 7-hydroxycitronellal
- EC Number:
- 203-518-7
- EC Name:
- 7-hydroxycitronellal
- Cas Number:
- 107-75-5
- Molecular formula:
- C10H20O2
- IUPAC Name:
- 7-hydroxy-3,7-dimethyloctanal
- Reference substance name:
- 1-(1H-indol-1-yl)-3,7-dimethyloctane-1,7-diol
- Cas Number:
- 1642782-49-7
- Molecular formula:
- C18H27NO2
- IUPAC Name:
- 1-(1H-indol-1-yl)-3,7-dimethyloctane-1,7-diol
- Reference substance name:
- Unknown constituents
- IUPAC Name:
- Unknown constituents
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
- Specific details on test material used for the study:
- Test Item Name: Indolene
Batch Number: VE00434647
Composition: Reaction products from Octanal, 7-hydroxy-3,7-dimethyl with1H-indole
Appearance: Green yellow liquid
Expiration Date: 24 June, 2018
Storage Conditions(as provided by the Sponsor): At room temperature at approximately 20 °C. Protect against light.
Storage Conditions(as handled at IES Ltd): At room temperature at approximately 20 °C. Protect against light.
Safety Precautions: Routine hygienic procedures are sufficient to ensure personnel health and safety.
IES Code: 10438
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- 3.46 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 100 mg/L
- Temp.:
- 20 °C
- pH:
- 7.9
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1 000 mg/L
- Remarks on result:
- other: It cannot finally be concluded that the saturation concentration was reached. Therefore no formal water solubility can be reported. The maximum concentration of reaction products measured after 72 hours was 36.7 ±0.5 mg/L.
- Details on results:
- For the loading rate 1000 mg/L it cannot finally be concluded that the saturation concentration was reached. Therefore no formal water solubility can be reported. The maximum concentration of reaction products measured after 72 hours was 36.7 ±0.5 mg/L.
Applicant's summary and conclusion
- Conclusions:
- During this study, the water solubility of the reaction products of Octanal, 7-hydroxy-3,7- dimethyl- with 1H-indole present in Indolene was determined at 20°C at a mean pH value of 7.90 using OECD Guideline for the Testing of Chemicals, No. 105 adapted to a slow stirring design.
The water solubility for a loading rate of 100 mg test item/L was found to be 3.46 mg/L ± 0.04 mg/L.
For the loading rate 1000 mg/L it cannot finally be concluded that the saturation concentration was reached. Therefore no formal water solubility can be reported. The maximum concentration of reaction products measured after 72 hours was 36.7 ±0.5 mg/L. - Executive summary:
During this study the water solubility of the reaction products present in Indolene was determined based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility modified to a slow-stirring test design.
Indolene consists of the reaction products from Octanal, 7-hydroxy-3,7-dimethyl- with 1Hindole. Unreacted Octanal, 7-hydroxy-3,7-dimethyl- (Hydroxycitronellal) and 1H-indole (Indole) present in the test sample were not part of this assessment. Solubility data on these constituents, much more soluble in water than the reaction products, is available elsewhere. Only the solubility of the reaction products was evaluated in the present study.
For an Indolene loading rate of 100 mg/L, the water solubility of the reaction products at 20°C was found to be 3.46 ± 0.04 mg/L.
For an Indolene loading rate of 1000 mg/L, the maximum water solubility of the reaction products at 20°C was found to be 36.7 ± 0.5 mg/L.
At the loading rate of 100 mg/L, saturation could be measured after 48 hours, while for the loading rate of 1000 mg/L a tendency to increase was measured. This tendency was significantly lower from 48 to 72 hours than from 24 to 48 hours. This can indicate that saturation is, or is almost, achieved. However, it is also possible that this is due to the fact that the test item becomes very sticky once Hydroxycitronellal and Indole have leached into the water phase, preventing a continuous stirring at this loading rate.
The test item is a mixture of several constituents with different solubilities. As it can not be excluded that the different constitents influence the other constituents’s solubilities, the results should be regarded as approximated values.
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