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EC number: 617-769-9 | CAS number: 858956-08-8
- 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:
- 2007-08-31 to 2007-09-19
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Food and Consumer Product Safety Authority (WMA), Den Haag, The Netherlands / National GLP Compliance Monitoring Authority, New Delhi, India
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.12
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not reported
- Remarks:
- n-Octanol / Milli-Q water partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.01
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not reported
- Remarks:
- n-Octanol / aqueous buffer pH4 partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.48
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not reported
- Remarks:
- n-Octanol / aqueous buffer pH7 partition coefficient
- Details on results:
- The n-Octanol / aqueous buffer pH9 partition coefficient could not be calculated because the test item was not detected in the n-octanol phase of octanol / buffer pH 9.0 at 20 ± 1 °C due to its high water solubility at alkaline pH.
- Conclusions:
- The octanol / water partition coefficient at 20 °C of the substance was determined using Milli-Q water and three aqueous buffer solutions (OECD Guideline 107, flask method):
-1.12 (octanol / Milli-Q water; pH of the solution not measured)
-1.01 (octanol / aqueous buffer pH4; pH of the solution not measured)
-2.48 (octanol / aqueous buffer pH7; pH of the solution not measured)
The n-Octanol / aqueous buffer pH9 partition coefficient could not be calculated because the test item was not detected in the n-octanol phase of octanol / buffer pH 9.0 at 20 ± 1 °C due to its high water solubility at alkaline pH.
Reference
The concentration of the test item stock solutions prepared in n-octanol presaturated for the tests with Milli-Q water and pH 4.0, 7.0, and 9.0 aqueous buffer solutions were 72.28, 70.66, 70.29, and 70.56 µg/mL, respectively.
The mean partition coefficient (log Pow) of the test item was:
-1.07 ± 0.00, -1.17 ± 0.01, and -1.12 ± 0.01 for the octanol-Milli-Q water ratio of 1:1, 1:2, and 2:1 respectively at 20 ± 1 °C.
-1.01 ± 0.01, -1.02 ± 0.01, and -1.01 ± 0.00 for the octanol-pH 4.0 aqueous buffer solution ratio of 1:1, 1:2, and 2:1 respectively at 20 ± 1 °C.
-2.48 ± 0.01 and -2.48 ± 0.03 for the octanol-pH 7.0 aqueous buffer solution ratio of 1:1 and 2:1 respectively at 20 ± 1 °C while the test item was not detected in octanol phase of 1:2 ratio.
The test item was not detected in n-octanol phase of 1:1, 1:2, and 2:1 ratios of octanol-pH 9.0 aqueous buffer solution at 20 ± 1 °C.
The overall mean partition coefficient (log Pow) of the test item at 20 ± 1 °C were -1.12 ± 0.04, -1.01 ± 0.01, and -2.48 ± 0.02 for the n-octonal-Milli-Q water and n-octonal-aqueous buffers of pH 4.0 and 7.0, respectively. The test item was not detected in the n-octanol phase of 1:1, 1:2, and 2:1 ratios of octanol-buffer pH 9.0 at 20 ± 1 °C due to its high water solubility at alkaline pH.
The detailed results of the log Pow determination are given in the following tables.
Test results: partition coefficient n-Octanol / Milli-Q water
n-Octanol |
Replication |
Volume of (mL) |
Test item concentration |
Amount (µg) of test item |
Log Pow |
Mean ± |
|||||
n-Octanol |
Milli-Q water |
n-Octanol |
Milli-Q water |
n-Octanol |
Milli-Q water |
Total |
Mean ± S.D |
||||
1:1 |
R1 |
50 |
50 |
5.50 |
64.97 |
275 |
3249 |
3524 |
3528 ± 5.66 |
-1.07 |
-1.07 ± 0.00 |
1:1 |
R2 |
50 |
50 |
5.50 |
65.13 |
275 |
3257 |
3532 |
-1.07 |
||
1:2 |
R1 |
50 |
100 |
2.29 |
34.25 |
115 |
3425 |
3540 |
3543 ± 4.24 |
-1.17 |
-1.17 ± 0.01 |
1:2 |
R2 |
50 |
100 |
2.37 |
34.27 |
119 |
3427 |
3546 |
-1.16 |
||
2:1 |
R1 |
100 |
50 |
4.71 |
61.72 |
471 |
3086 |
3557 |
3537 ± 28.99 |
-1.12 |
-1.12 ± 0.01 |
2:1 |
R2 |
100 |
50 |
4.71 |
60.89 |
471 |
3045 |
3516 |
-1.11 |
Overall log Pow mean ± S.D.: -1.12 ± 0.04
Test results: partition coefficient n-Octanol / pH 4.0 aqueous buffer solution
n-Octanol |
Replication |
Volume of (mL) |
Test item concentration |
Amount (µg) of test item |
Log Pow |
Mean ± |
|||||
n-Octanol |
Buffer |
n-Octanol |
Buffer |
n-Octanol |
Buffer |
Total |
Mean ± S.D |
||||
1:1 |
R1 |
50 |
50 |
6.30 |
63.05 |
315 |
3153 |
3468 |
3482 ± 19.80 |
-1.00 |
-1.01 ± 0.01 |
1:1 |
R2 |
50 |
50 |
6.14 |
63.77 |
307 |
3189 |
3496 |
-1.02 |
||
1:2 |
R1 |
50 |
100 |
3.28 |
33.20 |
164 |
3320 |
3484 |
3526 ± 58.69 |
-1.01 |
-1.02 ± 0.01 |
1:2 |
R2 |
50 |
100 |
3.25 |
34.04 |
163 |
3404 |
3567 |
-1.02 |
||
2:1 |
R1 |
100 |
50 |
5.77 |
59.48 |
577 |
2974 |
3551 |
3528 ± 33.23 |
-1.01 |
-1.01 ± 0.00 |
2:1 |
R2 |
100 |
50 |
5.74 |
58.59 |
574 |
2930 |
3504 |
-1.01 |
Overall log Pow mean ± S.D.: -1.01 ± 0.01
Test results: partition coefficient n-Octanol / pH 7.0 aqueous buffer solution
n-Octanol |
Replication |
Volume of (mL) |
Test item concentration |
Amount (µg) of test item |
Log Pow |
Mean ± |
|||||
n-Octanol |
Buffer |
n-Octanol |
Buffer |
n-Octanol |
Buffer |
Total |
Mean ± S.D |
||||
1:1 |
R1 |
50 |
50 |
0.23 |
70.62 |
12 |
3531 |
3543 |
3534 ± 12.73 |
-2.49 |
-2.48 ± 0.01 |
1:1 |
R2 |
50 |
50 |
0.24 |
70.26 |
12 |
3513 |
3525 |
-2.47 |
||
1:2 |
R1 |
50 |
100 |
- |
34.59 |
- |
3459 |
3459 |
3468 ± 12.02 |
- |
- |
1:2 |
R2 |
50 |
100 |
- |
34.76 |
- |
3476 |
3476 |
- |
||
2:1 |
R1 |
100 |
50 |
0.22 |
69.46 |
22 |
3473 |
3495 |
3491 ± 5.66 |
-2.50 |
-2.48 ± 0.03 |
2:1 |
R2 |
100 |
50 |
0.24 |
69.26 |
24 |
3463 |
3487 |
-2.46 |
Overall log Pow mean ± S.D.: -2.48 ± 0.02
Test results: partition coefficient n-Octanol / pH 9.0 aqueous buffer solution
n-Octanol |
Replication |
Volume of (mL) |
Test item concentration |
Amount (µg) of test item |
Log Pow |
Mean ± |
|||||
n-Octanol |
Buffer |
n-Octanol |
Buffer |
n-Octanol |
Buffer |
Total |
Mean ± S.D |
||||
1:1 |
R1 |
50 |
50 |
- |
68.24 |
- |
3412 |
3412 |
3415 ± 4.24 |
- |
- |
1:1 |
R2 |
50 |
50 |
- |
68.36 |
- |
3418 |
3418 |
- |
||
1:2 |
R1 |
50 |
100 |
- |
33.05 |
- |
3305 |
3305 |
3314 ± 12.02 |
- |
- |
1:2 |
R2 |
50 |
100 |
- |
33.22 |
- |
3322 |
3322 |
- |
||
2:1 |
R1 |
100 |
50 |
- |
67.55 |
- |
3378 |
3378 |
3376 ± 3.54 |
- |
- |
2:1 |
R2 |
100 |
50 |
- |
67.45 |
- |
3373 |
3373 |
- |
The test item was not detected in n-octanol phase of 1:1, 1:2 and 2:2 ratios hence, log Pow values were not calculated.
Description of key information
log Pow = -1.12 at 20 °C in Milli-Q water
log Pow = -1.01 at 20 °C in pH 4.0 aqueous buffer solution
log Pow = -2.48 at 20 °C in pH 7.0 aqueous buffer solution
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.12
- at the temperature of:
- 20 °C
Additional information
A further measurement using a pH 9.0 aqueous buffer solution was attempted. In this case, the test item was not detected in the n-octanol phase and the n-octanol / aqueous buffer pH9 partition coefficient could not be calculated.
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