Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- 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 guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Principles of method if other than guideline:
- Deviations: The first test needed to be repeated as the retention times of some of the test substance peaks were longer than the programmed run time of the chromatographic method. Only the results of the repeated test were reported.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
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:
- Commercial Name: Indolene
Givaudan Code No.: 1490963
Aspect: yellow to green liquid
Lot No.: VE00434647
Expiration date: June 24, 2018
Study design
- Test temperature:
- Column temperature: 35 °C
HPLC method
- Details on study design: HPLC method:
- Reverse phase High Performance Liqiud Chromatography on cyanopropyl-modified sillica stationary phase, containing lipophilic and molar moieties, is used.
While passing through the column among with the mobile phase the test substance interacts with the stationary phase. As a result of the partitioning between the mobile and stationary phase the test substance is retarded. The dual-composition of the stationary phase having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as it is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between retention time on the column and the adsorption coefficient on organic matter to be established.
HPLC Procedure:
A solution of the test substance was prepared (10.0 mg in 25 ml methanol/water 55/45 v/v).
After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice and the calibration mixture again.
Retention times were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationshop
logKoc = f(log k)
were also calculated from the data obtained with the calibration mixture and, therewith, logKoc of the test substance was determined from its measured capacity factor.
Batch equilibrium or other method
- Analytical monitoring:
- yes
Results and discussion
Adsorption coefficientopen allclose all
- Key result
- Type:
- log Koc
- Value:
- 1.5 dimensionless
- Temp.:
- 35 °C
- Key result
- Type:
- log Koc
- Value:
- 2.6 dimensionless
- Temp.:
- 35 °C
- Key result
- Type:
- log Koc
- Value:
- 3.2 dimensionless
- Temp.:
- 35 °C
- Key result
- Type:
- log Koc
- Value:
- 3.3 dimensionless
- Temp.:
- 35 °C
- Key result
- Type:
- log Koc
- Value:
- 4.9 dimensionless
- Temp.:
- 35 °C
- Key result
- Type:
- log Koc
- Value:
- 5.1 dimensionless
- Temp.:
- 35 °C
- Remarks on result:
- other: indicative value, peaks are overlapping with/outside calibration domain.
- Key result
- Type:
- log Koc
- Value:
- 5.2 dimensionless
- Temp.:
- 35 °C
- Remarks on result:
- other: indicative value, peaks are overlapping with/outside calibration domain
Results: HPLC method
- Details on results (HPLC method):
- Note: The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temerature at which the tabulated reference substances log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The chromatograms of Indolene show seven peaks at average retention times of 4.247 minutes (12.7% peak area); 6.252 minutes (48.5% peak area); 8.494 minutes (14.7% peak area); 9.279 minutes (14.3% peak area); 30.300 minutes (4.9% peak area); 35.131 minutes (2.7% peak area) and 38.172 minutes (3.2% peak area), corresponding to adsorption coefficients (log value) of 1.5; 2.6; 3.2; 3.3; 4.9; 5.1* and 5.2*.
Therefore: Adsorption coefficients (Koc) of Indolene:
logKoc = 1.5; 2.6; 3.2; 3.3; 4.9; 5.1* and 5.2*
* indicative value, peaks are overlapping with/outside calibration domain
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.