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EC number: 231-927-0 | CAS number: 7779-31-9
- 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:
- 2005-12-22 to 2007-03-30
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Other quality assurance:
- other: EN ISO 9001
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.25
- Temp.:
- 20 °C
- pH:
- ca. 7
- Executive summary:
The partition coefficient n-octanol / water (Pow) of the test item 3,3,5 -Trimethylcyclohexyl methacrylate (CAS 7779 -31 -9) was determined according to OECD guideline No. 117 and EU test method A.8 (Directive 92/69/EEC, Official Journal L 383 A) with the HPLC method.
Partition coefficient n-octanol / water: log Pow = 5.25
Reference
Test according to HPLC method
Summary of the results of the HPLC measurements of the reference compounds and the test item
Sample No.1) |
tR1 (min) |
tR2 (min) |
tR (min) |
k' |
log k’ (x) |
Log Pow (y) |
0 |
0.86 |
0.85 |
0.855 |
|
|
|
1 |
1.48 |
1.49 |
1.485 |
0.737 |
-0.133 |
1.72) |
2 |
1.97 |
1.98 |
1.975 |
1.310 |
0.117 |
2.12) |
3 |
2.62 |
2.63 |
2.625 |
2.070 |
0.316 |
2.62) |
4 |
3.06 |
3.08 |
3.07 |
2.591 |
0.413 |
3.22) |
5 |
4.32 |
4.36 |
4.34 |
4.076 |
0.610 |
3.62) |
6 |
5.59 |
5.63 |
5.61 |
5.561 |
0.745 |
4.02) |
7 |
11.00 |
11.18 |
11.09 |
11.971 |
1.078 |
4.52) |
8 |
12.53 |
12.71 |
12.62 |
13.760 |
1.139 |
4.82) |
Test item |
18.38 |
|
|
20.50 |
1.312 |
5.243) |
Test item |
|
18.57 |
|
20.72 |
1.316 |
5.253) |
Mean value |
|
|
|
|
|
5.253) |
1)For the names of the reference compounds see below
2)Results from the EU test method A.8
3)Interpolated from linearized function log Pow = f(log k’) of the calibration data
The log Pow values of the test item fall within a range of +- 0.005 units, thus the test is satisfactory.
The linear regression of the log Pow of the reference substances against their log k’ has a coefficient of determination of 0.9817.
Result
The partition coefficient n-octanol / water (Pow) of the test item was determined according to the OECD guideline No. 117 and EU test method A.8 (Directive 92/69/EEC, Official Journal L 383 A) with the HPLC method.
Partition coefficient n-octanol water (Pow): log Pow = 5.25
Analytical Parameters
The measurements were performed under the following HPLC conditions:
Apparatus: HPLC System HP1100 (Agilent)
Stationary phase: 125 x 4.6 mm, Nucleosil 100-7 C18
Mobile phase: Methanol / water (67:33)
Injection volume: 20 µl
Temperature: ambient
Detection: Refractive index
Reference Compounds
No. |
Reference Compound |
Abbreviation (chromatogram) |
Concentration |
0 |
Urea (inert marker) |
Harns |
51.93 mg / 50 ml mobile phase |
1 |
Acetophenone |
Aceto |
50.51 mg / 50 ml mobile phase |
2 |
Methylbenzoate |
Methyl |
64.10 mg / 50 ml mobile phase |
3 |
Ethylbenzoate |
Ethylb |
60.96 mg / 50 ml mobile phase |
4 |
Benzophenone |
Benzo |
69.54 mg / 50 ml mobile phase |
5 |
Phenylbenzoate |
Phenyl |
64.44 mg / 50 ml mobile phase |
6 |
Benzylbenzoate |
Benzyl |
61.08 mg / 50 ml mobile phase |
7 |
Phenanthrene |
Phena |
64.52 mg / 50 ml methanol |
8 |
Dibenzyl |
Dibenz |
62.73 mg / 50 ml methanol |
Test item |
|
|
65.23 mg / 50 ml methanol |
Description of key information
The octanol/water partition coefficient of 3,3,5-TRIMETHYLCYCLOHEXYL METHACRYLATE (CAS 7779-31-9) was determined by an experimental study performed in accordance with the OECD 117 Test Guideline.
The partition coefficient (log Kow) was determined to be equal to 5.25.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.25
- at the temperature of:
- 20 °C
Additional information
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