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EC number: 209-218-2 | CAS number: 561-41-1
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental study performed according to test guidelines
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.447
- Temp.:
- 25 °C
- pH:
- 7.5
- Remarks on result:
- other: Deviation=±0.018
- Conclusions:
- The partition coefficient (n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 3.447±0.018 at 25°C.
- Executive summary:
The Partition Coefficient n-octanol/water (Pow) of test substance was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.
The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile : Water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Functionally similar reference substances were selected using QSAR model 3.0. Selected reference substances and test chemical were prepared in methanol with a concentration of 400 mg/L. These were analyzed on HPLC considering the similar conditions.
After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Powvalue.
The reference substances wereCinnamyl alcohol, Benzene, Toluene, Ethyl benzene, Biphenyl, Butyl benzene and Triphenylaminehaving Powvalue ranging from 1.9 to 5.6
TheLog Powvalue was found to be3.447 ± 0.018at 25°C.
Reference
Reference substances |
tR1 |
tR2 |
Mean RT±SD |
K |
Log K |
Log Pow |
Formamide |
1.476 |
1.475 |
1.476±0.001 |
NA |
NA |
NA |
Cinnamyl alcohol |
2.072 |
2.065 |
2.069±0.005 |
0.402 |
-0.396 |
1.9 |
Benzene |
2.142 |
2.127 |
2.135±0.011 |
0.447 |
-0.350 |
2.0 |
Toluene |
3.038 |
3.039 |
3.039±0.001 |
1.059 |
0.025 |
3.3 |
Ethyl benzene |
3.427 |
3.396 |
3.412±0.022 |
1.312 |
0.118 |
3.6 |
Biphenyl |
4.107 |
4.106 |
4.107±0.001 |
1.783 |
0.251 |
4.1 |
Butyl benzene |
5.070 |
5.095 |
5.083±0.018 |
2.445 |
0.388 |
4.6 |
Triphenylamine |
8.614 |
8.645 |
8.630±0.022 |
4.849 |
0.686 |
5.6 |
The above table indicates, functionally similar reference substance were taken for analysis. Individual reference substances were allowed to pass through the column on fixed operating conditions in order to obtain the values of tRand SD. These values are then used to determine k which is then converted to log k value. (applying equation no. 1). This log k was then plotted on the calibration curve to determined log Powvalue of each.
Test chemical |
k |
Log k |
Log Pow |
Mean of Log Pow± S.D |
|
tR1 |
3.176 |
1.152 |
0.062 |
3.434 |
3.447±0.018 |
tR2 |
3.205 |
1.172 |
0.069 |
3.460 |
This table represents the mean log Powand SD of the test chemical. The value was calculated same as above given in table number 1.
Description of key information
The partition coefficient (n-octanol/water) of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Powvalue was found to be 3.447±0.018 at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.447
- at the temperature of:
- 25 °C
Additional information
The Partition Coefficient n-octanol/water (Pow) of test substancewas determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.
The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile : Water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Functionally similar reference substances were selected using QSAR model 3.0. Selected reference substances and test chemical were prepared in methanol with a concentration of 400 mg/L. These were analyzed on HPLC considering the similar conditions.
After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Powvalue.
The reference substances wereCinnamyl alcohol, Benzene, Toluene, Ethyl benzene, Biphenyl, Butyl benzene and Triphenylaminehaving Powvalue ranging from 1.9 to 5.6
TheLog Powvalue was found to be3.447 ± 0.018at 25°C.
Thus, on the basis of available information, the partition coefficient value of test chemical was evaluated to be ranges from 2.03 to 3.51, indicating that the test chemical was considered to be hydrophilic in nature.
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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