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EC number: 500-276-7 | CAS number: 89800-10-2
- 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
- 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
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- MHRA
- Type of method:
- HPLC method
- Partition coefficient type:
- other: methanol-water
Test material
- Reference substance name:
- ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol
- EC Number:
- 500-276-7
- EC Name:
- ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol
- Cas Number:
- 89800-10-2
- Molecular formula:
- {(C10H16O7).(C3H3O)b.[(C6H10O2)m.(C3H3O)a]} (i.e., UVCB substance)
- IUPAC Name:
- ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol
- Test material form:
- liquid
- Details on test material:
- Colorless to light yellow
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 3
- Temp.:
- 30 °C
- pH:
- 6.6
- Remarks on result:
- other: see Remarks
- Remarks:
- for 17.9% (w/w)
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 3 - <= 6
- Temp.:
- 30 °C
- pH:
- 6.6
- Remarks on result:
- other: see Remarks
- Remarks:
- for 53.9% (w/w)
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 30 °C
- pH:
- 6.6
- Remarks on result:
- other: see Remarks
- Remarks:
- for 27.4% (w/w)
Any other information on results incl. tables
Preliminary Estimate
The log10 Pow was estimated for two potential constituent species. These were calculated to be log10 Pow 2.8 and 6.8.
Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards are shown in the following tables:
Dead time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.550 |
1.545 |
1.548 |
Standard |
Retention Time (mins) |
Capacity Factor (k’) |
Log10k’ |
Log10Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
2-Butanone |
1.822 |
1.822 |
1.822 |
0.177 |
-0.751 |
0.3 |
Toluene |
4.086 |
4.086 |
4.086 |
1.64 |
0.215 |
2.7 |
Naphthalene |
4.961 |
4.961 |
4.961 |
2.21 |
0.344 |
3.6 |
Phenanthrene |
9.286 |
9.281 |
9.283 |
5.00 |
0.699 |
4.5 |
Triphenylamine |
22.080 |
22.080 |
22.080 |
12.3 |
1.12 |
5.7 |
DDT |
31.132 |
31.137 |
31.135 |
19.1 |
1.28 |
6.5 |
Partition Coefficient of Sample
The retention times, capacity factor and log10Powvalue determined for the sample are shown in the following table:
Peak |
Injection |
Retention Time (mins) |
Capacity Factor (k’) |
Log10k’ |
Log10Pow |
Mean Log10Pow |
Mean Area % |
1 |
1 |
2.080 |
0.344 |
-0.464 |
0.995 |
0.995 |
0.4 |
2 |
2.080 |
0.344 |
-0.464 |
0.995 |
|||
2 |
1 |
2.556 |
0.651 |
-0.186 |
1.84 |
1.84 |
2.5 |
2 |
2.561 |
0.655 |
-0.184 |
1.85 |
|||
3 |
1 |
2.872 |
0.856 |
-0.0677 |
2.20 |
2.20 |
0.9 |
2 |
2.872 |
0.856 |
-0.0677 |
2.20 |
|||
4 |
1 |
3.134 |
1.03 |
0.0108 |
2.44 |
2.44 |
0.4 |
2 |
3.134 |
1.03 |
0.0108 |
2.44 |
|||
5 |
1 |
3.557 |
1.30 |
0.113 |
2.75 |
2.75 |
9.5 |
2 |
3.562 |
1.30 |
0.114 |
2.76 |
|||
6 |
1 |
3.848 |
1.49 |
0.172 |
2.93 |
2.93 |
4.2 |
2 |
3.848 |
1.49 |
0.172 |
2.93 |
|||
7 |
1 |
4.169 |
1.69 |
0.229 |
3.10 |
3.11 |
0.2 |
2 |
4.174 |
1.70 |
0.230 |
3.11 |
|||
8 |
1 |
4.538 |
1.93 |
0.286 |
3.28 |
3.28 |
0.9 |
2 |
4.543 |
1.94 |
0.287 |
3.28 |
|||
9 |
1 |
4.942 |
2.19 |
0.341 |
3.45 |
3.45 |
0.3 |
2 |
4.942 |
2.19 |
0.341 |
3.45 |
|||
10 |
1 |
5.190 |
2.35 |
0.372 |
3.54 |
3.54 |
0.2 |
2 |
5.194 |
2.36 |
0.372 |
3.54 |
|||
11 |
1 |
5.432 |
2.51 |
0.400 |
3.62 |
3.62 |
0.4 |
2 |
5.437 |
2.51 |
0.400 |
3.63 |
|||
12 |
1 |
5.943 |
2.84 |
0.453 |
3.79 |
3.79 |
15.7 |
2 |
5.948 |
2.84 |
0.454 |
3.79 |
|||
13 |
1 |
6.463 |
3.18 |
0.502 |
3.93 |
3.94 |
3.2 |
2 |
6.467 |
3.18 |
0.502 |
3.94 |
|||
14 |
1 |
6.948 |
3.49 |
0.543 |
4.06 |
4.06 |
0.3 |
2 |
6.953 |
3.49 |
0.543 |
4.06 |
|||
15 |
1 |
7.993 |
4.16 |
0.620 |
4.29 |
4.29 |
0.7 |
2 |
7.998 |
4.17 |
0.620 |
4.29 |
|||
16 |
1 |
8.586 |
4.55 |
0.658 |
4.41 |
4.41 |
0.3 |
2 |
8.591 |
4.55 |
0.658 |
4.41 |
|||
17 |
1 |
9.266 |
4.99 |
0.698 |
4.53 |
4.53 |
0.2 |
2 |
9.276 |
4.99 |
0.698 |
4.53 |
|||
18 |
1 |
9.738 |
5.29 |
0.724 |
4.61 |
4.61 |
0.7 |
2 |
9.747 |
5.30 |
0.724 |
4.61 |
|||
19 |
1 |
10.850 |
6.01 |
0.779 |
4.78 |
4.78 |
14.9 |
2 |
10.855 |
6.01 |
0.779 |
4.78 |
|||
20 |
1 |
11.662 |
6.54 |
0.815 |
4.89 |
4.89 |
1.5 |
2 |
11.672 |
6.54 |
0.816 |
4.89 |
|||
21 |
1 |
12.094 |
6.81 |
0.833 |
4.94 |
4.94 |
0.4 |
2 |
12.104 |
6.82 |
0.834 |
4.95 |
|||
22 |
1 |
10.784 |
7.26 |
0.861 |
5.03 |
5.03 |
0.4 |
2 |
12.799 |
7.27 |
0.862 |
5.03 |
|||
23 |
1 |
14.947 |
8.66 |
0.937 |
5.26 |
5.26 |
0.5 |
2 |
14.981 |
8.68 |
0.939 |
5.26 |
|||
24 |
1 |
15.928 |
9.29 |
0.968 |
5.35 |
5.35 |
0.2 |
2 |
15.943 |
9.30 |
0.969 |
5.36 |
|||
25 |
1 |
16.574 |
9.71 |
0.987 |
5.41 |
5.41 |
0.1 |
2 |
16.594 |
9.72 |
0.988 |
5.41 |
|||
26 |
1 |
17.624 |
10.4 |
1.02 |
5.50 |
5.50 |
0.1 |
2 |
- |
- |
- |
- |
|||
27 |
1 |
18.552 |
11.0 |
1.04 |
5.58 |
5.58 |
1.0 |
2 |
18.567 |
11.0 |
1.04 |
5.58 |
|||
28 |
1 |
20.928 |
12.5 |
1.10 |
5.75 |
5.75 |
11.4 |
2 |
20.943 |
12.5 |
1.10 |
5.75 |
|||
29 |
1 |
23.547 |
14.2 |
1.15 |
5.92 |
5.92 |
0.2 |
2 |
23.596 |
14.2 |
1.15 |
5.92 |
|||
30 |
1 |
24.718 |
15.0 |
1.18 |
5.98 |
5.98 |
0.1 |
2 |
24.708 |
15.0 |
1.18 |
5.98 |
|||
31-36 |
1 |
≥33.309 |
≥20.5 |
≥1.31 |
≥6.5 |
≥6.5 |
27.4 |
2 |
≥33.314 |
≥20.5 |
≥1.31 |
≥6.5 |
Log10Pow: In the range 0.995 to greater than 6.5
Partition coefficient: In the range 9.89 to greater than 3.2 x 106
By area normalisation, 17.9% of the test item gave a log10Powless than 3.0, 53.9% gave log10Powbetween 3.0 and 6.0 and 27.4% gave a log10Powof >6.5.
Discussion
As the test item is a complex mixture, it was considered that the HPLC method would be the most suitable for determination of partition coefficient.
As the test item contains no modes of dissociation, testing was performed at approximately neutral pH with the test item in a non-ionized form.
Conclusion
The partition coefficient of the test item has been determined to be in the range 9.89 to greater than 3.2 x 106, log10Powin the range 0.995 to greater than 6.5. By area normalisation, 17.9% of the test item gave a log10Powless than 3.0, 53.9% gave a log10Powbetween 3.0 and 6.0 and 27.4% gave a log10Powof >6.5.
Applicant's summary and conclusion
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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