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EC number: 304-780-6 | CAS number: 94279-36-4
- 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:
- 14-15 Sep 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- no
- Remarks:
- ISO 9001
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 10.6
- Temp.:
- 55 °C
- pH:
- 5.9
Reference
Repeatability: The value of Log Pow derived from repeated measurements (under identical conditions and using the same set of reference substances) was fallen within a range less of ± 0.1 log units.
Retention time of reference items at 210 nm:
Serial N° |
Retention time of |
||||||
Acetanilide |
2-Nitrophenol |
Toluene |
Naphthalene |
Phenanthrene |
DDT |
Decachlorobiphenyl |
|
1 |
1.298 |
1.402 |
1.744 |
1.889 |
2.441 |
2.750 |
13.153 |
2 |
1.292 |
1.396 |
1.737 |
1.882 |
2.420 |
2.714 |
13.281 |
3 |
1.292 |
1.400 |
1.743 |
1.890 |
2.437 |
2.748 |
13.422 |
4 |
1.292 |
1.400 |
1.743 |
1.891 |
2.439 |
2.750 |
13.420 |
5 |
1.294 |
1.405 |
1.748 |
1.896 |
2.448 |
2.765 |
13.569 |
6 |
1.294 |
1.404 |
1.747 |
1.896 |
2.449 |
2.765 |
13.564 |
Mean |
1.294 |
1.401 |
1.744 |
1.891 |
2.439 |
2.749 |
13.402 |
Calibration data:
Injection N° |
Average retention time |
Average log k |
Referenced log Pow |
Thiourea (dead time) |
1.167 |
- |
|
Acetanilide |
1.294 |
-0.963 |
1.0 |
2-Nitrophenol |
1,401 |
-0.696 |
1.8 |
Toluene |
1.744 |
-0.306 |
2.7 |
Naphthalene |
1.891 |
-0.207 |
3.6 |
Phenanthrene |
2.439 |
0.038 |
4.5 |
DDT |
2.749 |
0.132 |
6.5 |
Decachlorobiphenyl |
13.402 |
1.021 |
8.2 |
Reproducibility: the correlation coefficient R for the relationship between log k and log Pow for this set of reference substances was determined to be 0.9657.
Retention data for the test item:
Injection N° |
Retention time |
log k’ |
||||||
1. peak (83.8% area) |
2. peak (5.7% area) |
3. peak (7.8% area) |
4. peak (2.8% area) |
1. peak |
2. peak |
3. peak |
4. peak |
|
1 |
40.956 |
49.037 |
60.817 |
74.351 |
1.533 |
1.613 |
1.709 |
1.797 |
2 |
40.519 |
48.628 |
59.494 |
73.254 |
1.528 |
1.609 |
1.699 |
1.791 |
3 |
40.723 |
48.809 |
60.643 |
73.736 |
1.530 |
1.611 |
1.707 |
1.794 |
4 |
40.574 |
48.276 |
61.002 |
74.002 |
1.529 |
1.615 |
1.710 |
1.795 |
Mean |
1.530 |
1.612 |
1.706 |
1.794 |
Log Pow was extrapolated as follows:
Log Pow = 3.8762 log k + 4.5859
obtaining values: 10.5; 10.8; 11.2; 11.5, for peaks 1., 2., 3., 4., respectively.
Weighted mean: log Pow = 10.6
Description of key information
log Pow = 10.6 at 55 °C, pH = 5.9
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 10.6
- at the temperature of:
- 55 °C
Additional information
The partition coefficient of the substance 1,2,4-benzenetricarboxylic acid (CAS 94279-36-4) was determined according to the OECD Guideline 117 and other guidelines. It is believed that log Pow does not dependent significantly on the temperature, thus the result at 55 °C can be accepted for risk assessment.
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