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Diss Factsheets
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EC number: 201-240-0 | CAS number: 79-97-0
- 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
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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:
- 09 - 12 Oct 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- May 2008
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- July 27, 1995
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 1996
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- National Good Laboratory Practice (GLP) Compliance Monitoring Authority (NGCMA), Department of Science and Technology, Government of India
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.11
- Temp.:
- 20 °C
- Remarks on result:
- other: no pH value reported.
Reference
Results of linearity check
The linearity of the method was established before analysing the sample. The correlation coefficient (r) was 0.999.
Accuracy (% Recovery) and Precision (% RSD)
Accuracy (% recovery) of the analytical method was obtained by analysis of n-octanol and water samples fortified with test item. The overall mean accuracy (% recovery) in n-octanol and water was 99.70 and 94.99%, respectively.
The precision (% RSD) of the method in n-octanol and water were 0.08, 0.58, 0.09% and 1.14, 0.88, 0.44% for fortification level of I, II and III, respectively and the precision (overall % RSD) in n-octanol and water was 0.60 and 4.97%, respectively.
Partition coefficient test results
Concentration of test item in Phases
Ratio of Solvents (n-Octanol : Water) |
Replication |
N° of Injection |
Peak Area in Phases |
Dilution Factor of Phases |
Concentration (mg/L) of test item in Phases |
|||||
n-Octanol |
Water |
n-Octanol |
Water |
n-Octanol |
Mean |
Water |
Mean |
|||
1 : 1 |
R1 |
I |
22433 |
4958 |
2500 |
1.0 |
3256.990 |
3243.067 |
0.289 |
0.280 |
II |
22241 |
4642 |
3229.144 |
0.271 |
||||||
R2 |
I |
22248 |
4445 |
3230.159 |
3231.827 |
0.259 |
0.241 |
|||
II |
22271 |
3813 |
3233.495 |
0.223 |
||||||
1 : 2 |
R1 |
I |
22709 |
4004 |
2500 |
1.0 |
3297.018 |
3304.995 |
0.234 |
0.229 |
II |
22819 |
3817 |
3312.971 |
0.223 |
||||||
R2 |
I |
22927 |
3989 |
3328.634 |
3336.828 |
0.233 |
0.235 |
|||
II |
23040 |
4056 |
3345.022 |
0.237 |
||||||
2 : 1 |
R1 |
I |
21225 |
4374 |
2500 |
1.0 |
3081.795 |
3052.862 |
0.255 |
0.259 |
II |
20826 |
4487 |
3023.928 |
0.262 |
||||||
R2 |
I |
21006 |
4518 |
3050.034 |
3031.253 |
0.264 |
0.266 |
|||
II |
20747 |
4587 |
3012.471 |
0.268 |
The concentrations of the test item were calculated using the Intercept with Y-axis and the Slope of the Line as derived by the linearity check:
Intercept with Y-axis = -24.53
Slope of the Line = 17237.95
Calculation of the partition coefficient
Solvent Ratio (n-Octanol/ Water) |
Repli-cation |
Concentration in n-Octanol Phase (mg/L) |
Concentration in Water Phase (mg/L) |
POW = Coctanol / Cwater |
Mean Pow |
Partition Coefficient log POW |
Mean (log POW) |
1:1 |
R1 |
64861.340 |
5.600 |
11582.38 |
12496.23 |
4.06 |
4.10 |
R2 |
64636.540 |
4.820 |
13410.07 |
4.13 |
|||
1:2 |
R1 |
33049.950 |
4.580 |
14432.29 |
14315.78 |
4.16 |
4.16 |
R2 |
33368.280 |
4.700 |
14199.27 |
4.15 |
|||
2:1 |
R1 |
122114.480 |
5.180 |
11787.11 |
11591.40 |
4.07 |
4.07 |
R2 |
121250.120 |
5.320 |
11395.69 |
4.06 |
|||
Mean Partition Coefficient |
12801.14 |
- |
4.11 |
4.11 |
|||
Standard Deviation |
1376.60 |
0.05 |
0.05 |
Description of key information
OECD guideline, GLP-compliant study available. Log Kow was determined using Shake Flask method. Log Kow was 4.11 at 20°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.11
- at the temperature of:
- 20 °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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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