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EC number: 231-472-8 | CAS number: 7575-23-7
- 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:
- 2007.06.16-2007.06.27
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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:
- yes (incl. QA statement)
- Remarks:
- The Department of Health of the Government of the United Kingdom
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- ca. 3.03
- Temp.:
- 30 °C
- pH:
- ca. 7
- Remarks on result:
- other: for main component 73.6% normated peak area
- Type:
- log Pow
- Partition coefficient:
- ca. 2.8
- Temp.:
- 30 °C
- pH:
- ca. 7
- Remarks on result:
- other: average weighted mean logkow for all test-substance HPLC detected was calculated
- Details on results:
- The determination was performed at an approximately neutral pH to obtain the test material components in a molecular form, the dissociation constants of thiol groups being typically ≥10.
The percentage area normalisation data for the two injections of the test material sample solution are shown in the Table 1. From compositional information supplied by the Sponsor, peak number 10 has been attributed to the main component of the test material, pentaerythritol tetra(3-mercaptopropionate).
The partition coefficient of the test material has been determined to be less than 2.00 to 2.21x104, log10 Pow<0.3 to 4.34. The peak attributed to the pentaerythritol tetra(3-mercaptopropionate) content o the test material resulted in a partition coefficient value of 1.06x103, log10 Pow 3.03. The determination was performed using a mobile phase pH of 7.0 and maintaining the HPLC column of 30 °C. - Conclusions:
- The octanol-water partition coefficient of the test material THIOCURE PETMP has been determined to be less than 2.00 to 2.21x104, log10Pow<0.3 to 4.34. The peak attributed to pentaerythritol tetra(3-mercaptopropionate) content of the test material resulted in a value 1.06x103, log10Pow=3.03. The determination was performed using a mobile phase pH of 7.0, and maintaining the HPLC column at a temperature 30 °C.
After test finalisation data was re-evaluated and an average weighted mean logKow for all peaks detected was calculated.
For the test substance, the average weighted mean logKow is 2.80. - Executive summary:
The test material THIOCURE PETMP has been determined to have the octanol-water partition coefficient less than 2.00 to 2.21x104, log10Pow<0.3 to 4.34. The peak attributed to pentaerythritol tetra(3-mercaptopropionate) content of the test material resulted in a value 1.06x103, log10Pow=3.03 (with a mobile phase pH of 7.0), by using the HPLC Method, Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC) and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
After test finalisation data was re-evaluated and an average weighted mean logKow for all peaks detected was calculated.
For the test substance, the average weighted mean logKow is 2.80.
Reference
The retention times, capacity factors, log10Pow values determined for the sample are shown in the Table 1.
Table 1:
Peak number |
Injection |
Retention time (mins) |
Mean peak area percentage normalisation (%) |
Capacity factor (k) |
log10K |
Log10Pow |
Mean log10Pow |
1 |
1 |
1.168 |
0.990 |
-0.252 |
- |
<0.3 |
<0.3 |
2 |
1.163 |
-0.255 |
- |
<0.3 |
|||
2 |
1 |
2.080 |
1.29 |
0.332 |
-0.478 |
<0.3 |
<0.3 |
2 |
2.078 |
0.331 |
-0.480 |
<0.3 |
|||
3 |
1 |
2.327 |
0.295 |
0.491 |
-0.309 |
<0.3 |
<0.3 |
2 |
2.344 |
0.502 |
-0.300 |
<0.3 |
|||
4 |
1 |
2.622 |
0.167 |
0.680 |
-0.168 |
0.563 |
0.566 |
2 |
2.626 |
0.682 |
-0.166 |
0.569 |
|||
5 |
1 |
3.530 |
12.7 |
1.261 |
0.101 |
1.45 |
1.45 |
2 |
3.525 |
1.258 |
0.0997 |
1.45 |
|||
6 |
1 |
4.443 |
0.248 |
1.846 |
0.266 |
2.00 |
2.00 |
2 |
4.424 |
1.834 |
0.263 |
1.99 |
|||
7 |
1 |
4.843 |
0.827 |
2.102 |
0.323 |
2.19 |
2.19 |
2 |
4.838 |
2.099 |
0.322 |
2.19 |
|||
8 |
1 |
6.248 |
0.315 |
3.003 |
0.477 |
2.70 |
2.70 |
2 |
6.224 |
2.987 |
0.475 |
2.70 |
|||
9 |
1 |
6.634 |
0.714 |
3.250 |
0.512 |
2.82 |
2.82 |
2 |
6.627 |
3.245 |
0.511 |
2.82 |
|||
10 |
1 |
7.423 |
73.6 |
3.755 |
0.575 |
3.03 |
3.03 |
2 |
7.417 |
3.751 |
0.574 |
3.02 |
|||
11 |
1 |
8.319 |
0.213 |
4.329 |
0.636 |
3.23 |
3.23 |
2 |
8.312 |
4.325 |
0.636 |
3.23 |
|||
12 |
1 |
10.296 |
2.25 |
5.596 |
0.748 |
3.60 |
3.60 |
2 |
10.303 |
5.600 |
0.748 |
3.60 |
|||
13 |
1 |
10.902 |
6.06 |
5.984 |
0.777 |
3.70 |
3.70 |
2 |
10.896 |
5.980 |
0.777 |
3.70 |
|||
14 |
1 |
16.194 |
0.307 |
9.374 |
0.972 |
4.34 |
4.34 |
2 |
16.184 |
9.368 |
0.972 |
4.34 |
Description of key information
Octanol-water partition coefficient log Pow 2.80 (weighted mean with single values in the range <0.3 to 4.34)
O'Connor, B. J. (2007)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.8
- at the temperature of:
- 30 °C
Additional information
In the experimental laboratory study the octanol-water partition coefficient of the test material THIOCURE PETMP has been determined to be less than 2.00 to 2.21x104, log10Pow<0.3 to 4.34. The peak attributed to pentaerythritol tetra(3-mercaptopropionate) content of the test material resulted in a value 1.06x103, log10Pow=3.03 (with a mobile phase pH of 7.0). The studies were performed by using the HPLC Method, Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC) and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
After test finalisation data was re-evaluated and an average weighted mean logKow for all peaks detected was calculated.
For the test substance, the average weighted mean logKow is 2.80.
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