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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 944-855-6 | CAS number: 199445-85-7
- 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
Link to relevant study record(s)
- Endpoint:
- water solubility
- Remarks:
- Critical Micelle Concentration
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 07 December - 01 December 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Remarks:
- Non guideline study based on or adapted from: ISO 4311: Anionic and non-ionic surface active agents – Determination of the critical micelle concentration – Method by measuring surface tension with a plate, stirrup or ring. Test conducted in accordance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- other: Based on or adapted from: ISO 4311: Anionic and non-ionic surface active agents – Determination of the critical micelle concentration – Method by measuring surface tension with a plate, stirrup or ring.
- Deviations:
- no
- Principles of method if other than guideline:
- The critical micelle concentration (CMC) was determined by measuring the surface tension of test item solutions at different test item concentrations. For surface active substances which form micelles in solution, the surface tension decreases with increasing concentration until the CMC is reached. At concentrations above the CMC, the surface tension remains constant.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Surface tension measured using OECD harmonised ring method
- Specific details on test material used for the study:
- STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature
- Stability under test conditions: Assumed stable. Stability at higher temperatures not availbale.
- Solubility and stability of the test substance in the solvent/vehicle: N/A
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A - Remarks on result:
- other: The endpoint is critical micelle concentration, see "details on results"
- Details on results:
- The response of surface tension of the test solutions as function of increasing concentration shows no transition phase or stationary phase up to the limit of observed solubility. It is therefore concluded that the test item has no critical micelle concentration.
- Conclusions:
- The response of surface tension of the test solutions as function of increasing concentration shows no transition phase or stationary phase up to the limit of observed solubility. It is therefore concluded that the test item has no critical micelle concentration.
- Executive summary:
The critical micelle concentration of the test item was determined by measuring the surface tension of test item solutions at different test item concentrations in accordance with EU Method A.5. Critical micelle concentration for reaction mass of (3R)-3-[(1R)-4-Methyl-3-cyclohexen-1-yl]butanal and (3S)-3-[(1R)-4-Methyl-3-cyclohexen-1-yl]butanal could not be determined, hence it can be concluded that the test item has no critical micelle concentration.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 October - 30 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted in accordance with international guidelines and in accordance with GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature
- Stability under test conditions: Assumed stable. Stability at higher temperatures not availbale.
- Solubility and stability of the test substance in the solvent/vehicle: N/A
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A - Key result
- Water solubility:
- 0.266 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- 96 h
- Temp.:
- 20 °C
- pH:
- >= 6.6 - <= 7.5
- Conclusions:
- The slow-stirring flask method was applied for the determination of the water solubility of Reaction mass of (3R)-3-[(1R)-4-Methyl-3-cyclohexen-1-yl]butanal and (3S)-3-[(1R)-4-Methyl-3-cyclohexen-1-yl]butanal.
The water solubility of the test item at 20 °C was 0.266 g/L. The pH of the aqueous samples was 6.6 – 7.5. - Executive summary:
The water solubility of the test substance was determined in accordance with EU Method A.6 using the slow stir method- appropriate for test substances with a water solubility below 0.2 mg/L.
The water solubility of the test substance at 20°C was 0.266 g/L. The pH of the aqueous samples was 6.6 - 7.5.
Referenceopen allclose all
The results of the test on the determination of the surface tension of the test solution are given in Table 2 through Table 4.
Table 2 Surface Tension for Test Solution at 1 mg/L
Measurement |
Time passed after transfer test solution to test vessel |
Surface tension |
||
individual |
mean |
mean multiplied by |
||
1 |
15 |
75.2 |
74.71 |
74.7 |
2 |
16 |
74.5 |
||
3 |
17 |
74.9 |
||
4 |
18 |
74.7 |
||
5 |
19 |
74.8 |
||
6 |
20 |
74.7 |
1mean calculated from measurements 2 to 6, after equlibrium was reached
Table 3 Surface Tension for Test Solution at 10 mg/L
Measurement |
Time passed after transfer test solution to test vessel |
Surface tension |
||
individual |
mean |
mean multiplied by |
||
1 |
16 |
74.6 |
74.31 |
74.3 |
2 |
17 |
74.3 |
||
3 |
18 |
75.0 |
||
4 |
19 |
75.4 |
||
5 |
20 |
74.4 |
||
6 |
21 |
74.3 |
||
7 |
22 |
74.2 |
||
8 |
23 |
74.4 |
||
9 |
24 |
74.4 |
1mean calculated from measurements 5 to 9, after equlibrium was reached
Table 4 Surface Tension for Test Solution at 50 mg/L
Measurement |
Time passed after transfer test solution to test vessel |
Surface tension |
||
individual |
mean |
mean multiplied by |
||
1 |
21 |
71.4 |
70.11 |
70.0 |
2 |
22 |
70.9 |
||
3 |
23 |
70.0 |
||
4 |
24 |
70.1 |
||
5 |
25 |
70.4 |
||
6 |
26 |
70.0 |
||
7 |
27 |
70.1 |
1mean calculated from measurements 3 to 7, after equlibrium was reached
Prelim test
The content of the test item dissolved in the water sample was 0.0850 g/L.
Main Test
The results of anaysis from 24, 48, 72 and 96 h sampling are shown in Table 1.
The maximum difference (MD) of the concentrations determined in the 24, 48, 72 and 96 hour test samples was>15%. Based on this, the water solubility of the test item is given as the mean value of the 72- and 96-hour measurements.
Table 1 Water Solubility of the Test Item
Stirring Time (h) |
Analysed Concentration (g/L) |
Mean1 (g/L) |
MD (%) |
pH |
24 |
0.196 |
|
|
6.6 |
48 |
0.190 |
|
|
6.6 |
72 |
0.254 |
|
|
6.6 |
96 |
0.279 |
0.266 |
9.4 |
7.5 |
1mean value of the 72 and 96 h measurements
No test item was detected in the blank water sample.
Description of key information
Water Solublity.: 0.266 g/L at 20 ºC, EU Method A.6, Anon, 2017.
Critical Micelle Concentration: No critical micelle concentration, ISO 4311 Anionic and non-ionic surface active agents- Determination of the critical micelle concentration- Method by measuring surface tension with a plate, stirrup or ring., Anon, 2017.
Key value for chemical safety assessment
- Water solubility:
- 0.266 g/L
- at the temperature of:
- 20 °C
Additional information
Attempts to determine the critical micelle concentration of the test substance were made by measuring the surface tension of test item solutions at increasing test item concentrations in accordance with EU Method A.5. Critical micelle concentration for reaction mass of (3R)-3-[(1R)-4-Methyl-3-cyclohexen-1-yl]butanal and (3S)-3-[(1R)-4-Methyl-3-cyclohexen-1-yl]butanal could not be determined at the limit of observed solubility. It can be concluded that the test item has no critical micelle concentration.
The critical micelle concentration assay was conducted in response to the surface tension measurement as a surrogate for water solubility, the surface tension measurement of 57.9 mN/m indicated that the substance was borderline surface-active. As no critical micelle concentration could be determined, it was concluded that the substance does not behave like a surfactant, and the low surface tension measurement was potentially an artefact of surface active impurities (trace carboxylic acid or an alkoxy- equivalent) with a higher water solubility than the test item, causing a false positive in the OECD 115 surface tension measurement at 90 % saturation.
The surface tension measurement of < 60 mN/m was therefore not considered to preclude the use of EU Method A.6. for water solubility.
The water solubility of the test substance was determined in accordance with EU Method A.6 using the slow stir method- appropriate for test substances with a water solubility below 0.2 mg/L.
The water solubility of the test substance at 20°C was 0.266 g/L. The pH of the aqueous samples was 6.6 - 7.5.
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.