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EC number: 836-681-3 | CAS number: 22421-66-5
- 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- September 24, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-(2-acryloyloxy-ethoxy) benzophenone
- EC Number:
- 836-681-3
- Cas Number:
- 22421-66-5
- Molecular formula:
- C18H16O4
- IUPAC Name:
- 4-(2-acryloyloxy-ethoxy) benzophenone
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Lot 30029
- Purity: 91.2%
- Expiration date of the lot/batch: 8/8/2021
- Storage condition of test material: Ambient
Study design
- Analytical method:
- liquid chromatography
- mass spectrometry
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.59
- Temp.:
- 22.5 °C
- pH:
- 7
- Details on results:
- AEBP has measured Kow range from 3580 - 4360 for octanol-water ratios of 1:1, 1:2 and 2:1 (v/v). The overall average Kow is 3940 (RSD% = 2.1%, n=12), calculates to log Kow of 3.59.
The mass balance of total measured AEBP in the water and n-octanol phases had recoveries in the range of 104 - 111%, compared to the dosed AEBP.
Any other information on results incl. tables
Table 1: Summary of n-Octanol/Water Partition Coefficient (Kow) for AEBP
Ratio (n-Octanol: Water) |
Sample |
Conc. in octanol phase (µg/mL) |
Conc. in water phase (µg/mL) |
Kow |
Log Kow |
A (1:1) |
A1-1 |
926 |
0.243 |
3810 |
3.58 |
A (1:1) |
A1-2 |
934 |
0.228 |
4100 |
3.61 |
Sample A1 Avg (RPD%) |
|
930 (0.86%) |
0.236 (6.4%) |
3950 (7.2%) |
3.60 (0.87%) |
A (1:1) |
A2-1 |
925 |
0.225 |
4110 |
3.61 |
A (1:1) |
A2-2 |
924 |
0.242 |
3820 |
3.58 |
Sample A2 Avg (RPD%) |
|
925 (0.11%) |
0.234 (7.3%) |
3960 (7.4%) |
3.60 (0.89%) |
Ratio A Avg (RPD%) |
|
|
|
3960 (0.28%) |
3.6 |
B (1:2) |
B1-1 |
932 |
0.238 |
3920 |
3.59 |
B (1:2) |
B1-2 |
905 |
0.244 |
3710 |
3.57 |
Sample B1 Avg (RPD%) |
|
919 (2.9%) |
0.241 (2.5%) |
3810 (5.4%) |
3.58 (0.66%) |
B (1:2) |
B2-1 |
899 |
0.226 |
3980 |
3.60 |
B (1:2) |
B2-2 |
923 |
0.241 |
3830 |
3.58 |
Sample B2 Avg (RPD%) |
|
911 (2.6%) |
0.234 (6.4%) |
3900 (3.8%) |
3.59 (0.46%) |
Ratio B Avg (PRD%) |
|
|
|
3860 (2.4%) |
3.59 |
C (2:1) |
C1-1 |
959 |
0.254 |
3780 |
3.58 |
C (2:1) |
C1-2 |
942 |
0.216 |
4360 |
3.64 |
Sample C1 Avg (RPD%) |
|
951 (1.8%) |
0.235 (16%) |
4070 (14%) |
3.61 (1.7%) |
C (2:1) |
C2-2 |
958 |
0.224 |
4280 |
3.63 |
C (2:1) |
C2-2 |
905 |
0.253 |
3580 |
3.55 |
Sample C2 Avg (RPD%) |
|
932 (5.7%) |
0.239 (12%) |
3930 (18%) |
3.59 (2.2%) |
Ratio C Avg (RPD%) |
|
|
|
4000 (3.5%) |
3.6 |
Overall Avg |
|
|
|
3940 |
3.59 |
Overall RSD% |
|
|
|
2.1 |
|
Applicant's summary and conclusion
- Conclusions:
- The log Kow of AEBP was determined to be 3.59 at ambient temperature (22.5 ± 0.5 °C).
- Executive summary:
The n-Octanol/Water Partition Coefficient (Kow) of AEBP was determined according to U.S EPA guidance document OPPTS 830.7550 "Partition Coefficient (n-Octanol/Water), Shake Flask Method".
Duplicate samples of AEBP were prepared in each of the three octanol/water ratios (1:1, 1:2 and 2:1). The samples were rotated 180 ° about their transverse axis for nominal total 600 rotations for 20 minutes at 30 RPM to ensure proper mixing of the test system solvents. The samples were then centrifuged at a setting of 1500 RPM for 15 minutes to facilitate phase separation. Analysis samples were then prepared by first removing duplicate aliquots from the octanol phase, followed by removing duplicate aliquots of the aqueous phase. The sample aliquots were then appropriately diluted and analyzed using LC/MS/MS.
The determined Kow values ranged from 3580 - 4360 for all three octanol/water ratios. The overall average Kow was 3940 (overall RSD% = 2.1%), calculates to log Kow of 3.59.
This is a guideline study. Although it was not conducted under GLP compliance, the study was well documented, and achieved good accuracy and precision. Therefore, it is considered reliable without restrictions (Klimsch 1) and key study.
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