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EC number: 942-471-3 | CAS number: 1581740-29-5
- 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
- Study period:
- Experimental Starting Date: 09 June 2014 Experimental Completion Date: 22 August 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1.25H Farnesene
- IUPAC Name:
- 1.25H Farnesene
- Test material form:
- other: Clear colorless liquid
- Details on test material:
- Identification: 1.25H Farnesene
Appearance/Physical State: Clear colorless liquid
Lot: RV-752-153-2
Purity: 98.92%
Expiry Date: 01 March 2015
Storage Conditions: Approximately 4 °C, in the dark
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- >= 6.08 - <= 6.48
- pH:
- 6.72
Any other information on results incl. tables
Results
Please see Attachment 2 of this Summary for the Typical Chromatography.
Computer estimation:
The estimated log10Powvalue for the test item was 7.18. The KOWWIN calculations in full are presented in Appendix 2 - Attachment 3 of this Summary.
Calibration curve:
The retention times of the dead time and the retention times, capacity factors (k') and log10Powvalues for the reference standards are shown in the following tables:
Table 3.8
Dead Time |
Retention Time (min) |
Mean Retention Time (min) |
|
Injection 1 |
Injection 2 |
||
Formamide |
0.410 |
0.410 |
0.410 |
Table 3.9
Standard |
Retention Time (min) |
Mean Retention Time (min) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
|
Injection 1 |
Injection 2 |
|||||
1,5-Hexadiene |
0.670 |
0.670 |
0.670 |
0.634 |
-0.198 |
2.87 |
Hexane |
1.094 |
1.094 |
1.094 |
1.67 |
0.222 |
3.90 |
Myrcene |
1.339 |
1.339 |
1.339 |
2.27 |
0.355 |
4.17 |
1-Octene |
1.454 |
1.454 |
1.454 |
2.55 |
0.406 |
4.57 |
Octane |
2.160 |
2.160 |
2.160 |
4.27 |
0.630 |
5.18 |
Nonane |
3.175 |
3.182 |
3.179 |
6.75 |
0.830 |
5.65 |
Dodecane |
11.873 |
11.873 |
11.873 |
28.0 |
1.45 |
6.10 |
Tetradecane |
30.046 |
30.010 |
30.028 |
72.2 |
1.86 |
7.20 |
Partition coefficient of the sample:
The retention times, capacity factors and log10Powvalues determined for the sample are shown in the following table:
Table 3.10
Peak |
Injection |
Retention Time (min) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
Mean Log10Pow |
Partition Coefficient (Pow) |
||||||||
Test item 1 |
1 |
7.459 |
17.2 |
1.24 |
6.08 |
6.08 |
1.21 x 106 |
||||||||
2 |
7.459 |
17.2 |
1.24 |
6.08 |
|||||||||||
Test item 2 |
1 |
11.376 |
26.8 |
1.43 |
6.48 |
6.48 |
3.05 x 106 |
||||||||
2 |
11.376 |
26.8 |
1.43 |
6.48 |
Range Pow: 1.21 x 106to 3.05 x 106
Range log10Pow: 6.08 to 6.48
Column eluent fractions:
The chromatograms of the three eluent fractions analysed by GC-MS are shown in Figure 3.2, Figure 3.3 and Figure 3.4 - Attachment 4 of this Summary.
All the test item isomers where present in the second fraction of column eluent, confirming that all the isomers came off the column after nonane and just before dodecane.
Applicant's summary and conclusion
- Conclusions:
- Please see the Executive Summary below for the Conclusion.
- Executive summary:
The determination was carried out using an HPLC method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
The test system consisted of a high performance liquid chromatograph (HPLC) with a suitable detector. A reverse phase HPLC column with a very low percentage of polar groups was used (e.g. C8, C18). The mobile phase contained at least 25% aqueous phase.
Conclusion
The partition coefficient of the test item has been determined to be in the range of 1.21 x 106to 3.05 x 106, log10 Powin the range of 6.08 to 6.48.
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