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EC number: 222-389-8 | CAS number: 3457-61-2
- 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:
- January 2013 to March 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study (OECD 123) with minor deviation
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- Deviations:
- yes
- Remarks:
- A sampling time point was taken at 122h; this sampling was separated from the former sampling (118h) by a period of 4 hours instead of 5 hours minimum as specified in the guideline. this deviation does not have any impact on the result.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 25 °C
- pH:
- 7.6 - 7.9
- Details on results:
- See "Any other information on results incl. tables"
- Conclusions:
- Using the low stirring method, it was shown that the weighted average value of the 1-octanol/water partition coefficient log10 Pow of tert-butyl cumyl peroxide is equal to 4.40 ± 0.02 at 25 ± 1 °C.
- Executive summary:
The partition coefficient n-octanol/water (Kow) of tert-butyl cumyl peroxide was estimated using the slow-stirring method. The Kow test was performed in accordance with the OECD 123 guideline. It was shown that the weighted average value of the 1-octanol/water partition coefficient log10 Pow of the substance is equal to 4.40 ± 0.02 at 25 ± 1 °C.
Reference
The results in the two phases at each time are given in the following table:
Vessel Number and Sampling time |
Concentration in the aqueous phase (mg/L) |
Concentration in the 1-octanol phase (mg/L) |
Pow Ratio |
Log Pow |
13-006 Y1 T = 98H |
0.84 |
19550 |
23273.8 |
4.37 |
13-006 Y2 T = 98H |
0.78 |
19250 |
24679.5 |
4.39 |
13-006 Y3 T = 98H |
0.78 |
19350 |
24807.7 |
4.39 |
13-006 Y1 T = 118H |
0.84 |
18900 |
22500.0 |
4.35 |
13-006 Y2 T = 118H |
0.78 |
19300 |
24743.6 |
4.39 |
13-006 Y3 T = 118H |
0.76 |
19150 |
25197.4 |
4.40 |
13-006 Y1 T = 122H |
0.80 |
18950 |
23687.5 |
4.37 |
13-006 Y2 T = 122H |
0.74 |
18850 |
25473.0 |
4.41 |
13-006 Y3 T = 122H |
0.74 |
18750 |
25337.8 |
4.40 |
13-006 Y1 T = 138H |
0.74 |
19000 |
25675.7 |
4.41 |
13-006 Y2 T = 138H |
0.74 |
18900 |
25540.5 |
4.41 |
13-006 Y3 T = 138H |
0.72 |
18450 |
25625.0 |
4.41 |
13-006 Y1 T = 143H |
0.78 |
19600 |
25128.2 |
4.40 |
13-006 Y2 T = 143H |
0.76 |
19750 |
25986.8 |
4.41 |
13-006 Y3 T = 143H |
0.72 |
19300 |
26805.6 |
4.43 |
The average value of log Pow of the different vessel units is calculated as the average of the results of the individual experimental units weighed with their respective variances.
The results are shown in the following table.
Vessel Y1 |
Mean value Y1 |
Standard Deviation Y1 |
Vessel Y2 |
Mean value Y2 |
Standard Deviation Y2 |
Vessel Y3 |
Mean value Y3 |
Standard Deviation Y3 |
4.37 4.35 4.37 4.41 4.40 |
4.38 |
0.000480 |
4.39 4.39 4.41 4.41 4.41 |
4.40 |
0.000096 |
4.39 4.40 4.40 4.41 4.43 |
4.41 |
0.000184 |
Mean/vessel |
Variance |
Weighed average |
4.38 |
0.000480 |
4.40 |
4.40 |
0.000096 |
|
4.41 |
0.000184 |
Description of key information
Using the slow stirring method, it was shown that the weighted average value of the 1-octanol/water partition coefficient log10 Pow of tert-butyl cumyl peroxide is equal to 4.40 ± 0.02 at 25 ± 1 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.4
- at the temperature of:
- 25 °C
Additional information
The partition coefficient n-octanol/water (Kow) of tert-butyl cumyl peroxide was firstly determined by applying the HPLC method according to OECD Guideline 117. Two peaks were detected. The first peak shows a mean log Kow at 3.50 and the other peak a mean log Kow at 4.94. It’s assumed that the second peak corresponds to the test substance with a measured log Kow (= 4.94) similar to the estimation with QSAR model KowWin (= 4.66).
However it's known that the HPLC method is not accurate and overestimates results. As a consequence the partition coefficient n-octanol/water (Kow) of tert-butyl cumyl peroxide was then estimated using the slow-stirring method. The Kow test was performed in accordance with the OECD 123 guideline. It was shown that the weighted average value of the 1-octanol/water partition coefficient log10 Pow of the substance is equal to 4.40 ± 0.02 at 25 ± 1 °C which is considered as key value.
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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