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EC number: 944-675-8 | CAS number: -
- 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:
- 05-Sept-16 to 18-Dec-16
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted in accordance with international guidelines and in accordance with GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 13-Apr-2204
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EC A.24, Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method
- Version / remarks:
- 1-Mar-2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- Aug-1996
- Deviations:
- no
- Principles of method if other than guideline:
- - Principle of test: N/A
- Short description of test conditions: N/A
- Parameters analysed / observed: N/A - GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 3 - <= 7.4
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- The results of the HPLC method shows the calibration curve of the log k’ of the reference substances as function of log Pow, see Table 1. The equation of the regression line was: log k’ = 0.316 x log Pow – 0.784 (r = 0.994, n = 14).
The HPLC method was applied for the determination of the partition coefficient (Pow) of Reaction products of 3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2- methylenedecahydro-1- naphthalenyl]-1-penten-3-ol, cyclized (Table 2). - Conclusions:
- The log Pow values of the test item at neutral pH were range => 3.0 to <= 7.4.
- Executive summary:
The HPLC method was applied for the determination of the partition coefficient (Pow) of Reaction products of 3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2- methylenedecahydro-1-naphthalenyl]-1-penten-3-ol, cyclized.
Reference items ranging from a log Pow of 1.1 to 7.2 were used to form a calibration curve for the assessment of test item constiuents. The equation of the regression line was: log k’ = 0.316 x log Pow– 0.784 (r = 0.994, n = 14).
The log Pow values of the test item at neutral pH were range => 3.0 to <= 7.4.
Reference
Powof the test item
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
Area |
|
|
|
|
|
|
|
Formamide (t0) |
0.593 |
0.592 |
0.593 |
|
|
|
|
|
|
|
|
|
|
Benzylalcohol |
0.760 |
0.760 |
|
1.1 |
|
|
Toluene |
1.457 |
1.456 |
|
2.7 |
|
|
1,4-Dichlorobenzene |
1.870 |
1.869 |
|
3.4 |
|
|
Dibenzyl |
4.090 |
4.082 |
|
4.8 |
|
|
Triphenylamine |
7.424 |
7.410 |
|
5.7 |
|
|
4,4’-DDT |
10.585 |
10.568 |
|
6.5 |
|
|
Benzo[ghi]perylene |
17.030 |
17.028 |
|
7.2 |
|
|
|
|
|
|
|
|
|
Test item peak 4 |
1.453 |
1.458 |
1.456 |
3.0 |
9.8 x 102 |
2.4 |
Test item peak 5 |
1.538 |
1.543 |
1.541 |
3.1 |
1.3 x 103 |
1.3 |
Test item peak 7 |
1.671 |
1.676 |
1.674 |
3.3 |
2.0 x 103 |
1.7 |
Test item peak 8 |
1.771 |
1.776 |
1.774 |
3.4 |
2.6 x 103 |
4.4 |
Test item peak 9 |
1.935 |
1.940 |
1.938 |
3.6 |
4.0 x 103 |
1.1 |
Test item peak 10 |
2.097 |
2.100 |
2.099 |
3.8 |
5.7 x 103 |
1.6 |
Test item peak 11 |
2.154 |
2.158 |
2.156 |
3.8 |
6.4 x 103 |
3.2 |
Test item peak 12 |
2.350 |
2.354 |
2.352 |
4.0 |
9.3 x 103 |
6.0 |
Test item peak 13 |
2.487 |
2.500 |
2.494 |
4.1 |
1.2 x 104 |
2.8 |
Test item peak 14 |
2.695 |
2.699 |
2.697 |
4.2 |
1.6 x 104 |
14 |
Test item peak 16 |
3.068 |
3.071 |
3.070 |
4.4 |
2.8 x 104 |
1.2 |
Test item peak 17 |
3.149 |
3.152 |
3.151 |
4.5 |
3.0 x 104 |
1.4 |
Test item peak 19 |
3.566 |
3.571 |
3.569 |
4.7 |
4.9 x 104 |
2.1 |
Test item peak 20 |
3.878 |
3.882 |
3.880 |
4.8 |
6.7 x 104 |
19 |
Test item peak 21 |
4.090 |
4.091 |
4.091 |
4.9 |
8.2 x 104 |
2.9 |
Test item peak 22 |
4.494 |
4.493 |
4.494 |
5.1 |
1.2 x 105 |
1.4 |
Test item peak 23 |
4.670 |
4.660 |
4.665 |
5.1 |
1.3 x 105 |
1.2 |
Test item peak 25 |
4.983 |
4.989 |
4.986 |
5.2 |
1.7 x 105 |
1.2 |
Test item peak 27 |
5.572 |
5.571 |
5.572 |
5.4 |
2.5 x 105 |
2.7 |
Test item peak 28 |
6.201 |
6.207 |
6.204 |
5.6 |
3.6 x 105 |
1.4 |
Test item peak 36 |
9.723 |
9.720 |
9.722 |
6.2 |
1.7 x 106 |
2.7 |
Test item peak 39 |
13.297 |
13.309 |
13.303 |
6.7 |
4.8 x 106 |
2.6 |
Test item peak 40 |
13.824 |
13.826 |
13.825 |
6.7 |
5.5 x 106 |
20 |
Test item peak 45 |
22.608 |
22.604 |
22.606 |
7.41 |
2.7 x 107 |
1.5 |
1 Estimated value, calculated by extrapolation of the calibration curve.
The Powand log Powvalues of the test item at neutral pH were:
|
Pow |
log Pow |
Area |
Test item – peak 1 |
9.8 x 102 |
3.0 |
2.4 |
Test item – peak 2 |
1.3 x 103 |
3.1 |
1.3 |
Test item – peak 3 |
2.0 x 103 |
3.3 |
1.7 |
Test item – peak 4 |
2.6 x 103 |
3.4 |
4.4 |
Test item – peak 5 |
4.0 x 103 |
3.6 |
1.1 |
Test item – peak 6 |
5.7 x 103 |
3.8 |
1.6 |
Test item – peak 7 |
6.4 x 103 |
3.8 |
3.2 |
Test item – peak 8 |
9.3 x 103 |
4.0 |
6.0 |
Test item – peak 9 |
1.2 x 104 |
4.1 |
2.8 |
Test item – peak 10 |
1.6 x 104 |
4.2 |
14 |
Test item – peak 11 |
2.8 x 104 |
4.4 |
1.2 |
Test item – peak 12 |
3.0 x 104 |
4.5 |
1.4 |
Test item – peak 13 |
4.9 x 104 |
4.7 |
2.1 |
Test item – peak 14 |
6.7 x 104 |
4.8 |
19 |
Test item – peak 15 |
8.2 x 104 |
4.9 |
2.9 |
Test item – peak 16 |
1.2 x 105 |
5.1 |
1.4 |
Test item – peak 17 |
1.3 x 105 |
5.1 |
1.2 |
Test item – peak 18 |
1.7 x 105 |
5.2 |
1.2 |
Test item – peak 19 |
2.5 x 105 |
5.4 |
2.7 |
Test item – peak 20 |
3.6 x 105 |
5.6 |
1.4 |
Test item – peak 21 |
1.7 x 106 |
6.2 |
2.7 |
Test item – peak 22 |
4.8 x 106 |
6.7 |
2.6 |
Test item – peak 23 |
5.5 x 106 |
6.7 |
20 |
Test item – peak 24 |
2.7 x 107 |
7.4 |
1.5 |
Description of key information
Log Pow => 3.0 to <= 7.4, OECD 117 (and EC A.24 and OPPTS 830.7570), Anon. (2017).
Key value for chemical safety assessment
Additional information
As the substance is a UVCB the Log Pow is a range (which encompasses all its constituents, for those > 1 %) Log Pow => 3.0 to <= 7.4.
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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