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EC number: 950-718-1 | 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 08 January 2019. Experimental completion date: 17 May 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- GLP compliance:
- yes
- Type of method:
- slow-stirring method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: PG-RAW-90-032
Chemical name: Reaction mass of (E)-1-(3,6-dimethylcyclohex-3-en-1-yl)-2-methylpent-1-en-3-one and (E)-1-(4,6-dimethylcyclohex-3-en-1-yl)-2-methylpent-1-en-3-one
CAS numbers: 2248118-61-6, 2248118-60-5
Appearance/Physical state: clear, colourless liquid
Batch: RDRW 534-93
Purity: 57.85% Constituents 1 and 2, 41.23% Constituents 3 and 4
Expiry / Retest date: 01 November 2020
Storage conditions: ~4 °C, in the dark - Analytical method:
- gas chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.61
- Temp.:
- 25 °C
- pH:
- >= 5.9 - <= 6.4
- Conclusions:
- The partition coefficient of PG-RAW-09-032 has been determined as log P 4.61 at 25 °C under OECD TG 123 (slow-stirring) in compliance with GLP.
- Executive summary:
The partition coefficient of PG-RAW-09-032 has been determined as log P 4.61 at 25 °C under OECD TG 123 (slow-stirring).
Reference
For each of the three test vessels, the slope of the correlation was tested statistically to ensure it did not differ significantly from zero. This was performed using the t test and a probability value of P = 0.05 (critical t value with 2 degrees of freedom). The results are summarized in the following table:
Vessel |
A |
B |
C |
Slope |
3.54 x 10-4 |
-2.04 x 10-4 |
-8.54 x 10-4 |
Value of t |
0.615 |
0.762 |
2.53 |
Critical t value |
3.18 |
4.30 |
4.30 |
Slope Statistically Different From Zero |
No |
No |
No |
As equilibrium was confirmed, the mean log10 Pow value, the standard deviation and variance was calculated for each vessel. This then allowed the final variance weighted average and standard deviation to be calculated as the definitive result for the test. The results are summarized in the following table:
Vessel |
A |
B |
C |
Mean log10Pow |
4.59 |
4.61 |
4.61 |
Standard Deviation |
3.94 x 10-2 |
1.32 x 10-2 |
3.02 x 10-2 |
Variance |
1.56 x 10-3 |
1.75 x 10-4 |
9.11 x 10-4 |
Weighted average log10 Pow : 4.61
Partition coefficient (Pow) : 4.04 x 10^4
Variance weighted log10 Pow standard deviation : 3.22 x 10^-3
Validation
The linearity of the detector response with respect to concentration was assessed over relevant concentration ranges for each matrix analyzed. In each case, the results were satisfactory. The results are summarized in the following table:
Analysis |
Matrix |
Nominal Concentration Range (mg/L) |
Correlation Coefficient (r) |
Stock solutions and organic phases |
acetone |
5 to 25 |
1.000 |
Aqueous phases |
hexane |
0.2 to 1.8 |
1.000 |
Assessment of the aqueous sample recovery procedure was performed and proved adequate for the test; at a nominal concentration of 0.118 mg/L, a mean percentage recovery of 97.9% was obtained (n = 3, range 95.6 to 99.3%, RSD = 2.07). Test sample concentrations have not been corrected for the recovery of analysis.
Description of key information
The partition coefficient of PG-RAW-09-032 has been determined as log P 4.61 at 25 °C under OECD TG 123 (slow-stirring)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.61
- at the temperature of:
- 25 °C
Additional information
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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