Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 939-396-3 | 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:
- 13 June 2013 - 17 June 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- This study was considered as reliable with restriction because it was not conducted under GLP and there are some lack of details in the study report.
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- Deviations:
- no
- Principles of method if other than guideline:
- In a stirring vessel maintained at 20°C, 1-octanol, water and the test item are equilibrated with each other at constant temperature and are slowly stirred. Then the concentrations of the test substance in the two phases are determined. The partition coefficient between water and 1-octanol (P) is defined as the ratio of the equilibrium concentrations of the test substance in 1-octanol saturated with water and water saturated with 1-octanol. Three independent slow-stirring experiments were carried out.
- GLP compliance:
- no
- Type of method:
- slow-stirring method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 2.91
- Temp.:
- 20 °C
- pH:
- ca. 5
- Remarks on result:
- other: +/-0.02
- Conclusions:
- The following Partition Coefficient was determined for dihydroterpineol multiconstituent by slow-stirring method: log P = 2.91 ± 0.02.
- Executive summary:
The partition coefficient of dihydroterpineol multiconstituent was determined at 20°C by slow-stirring method according to OECD guideline 123.
log Pow = 2.91 ± 0.02.
This value was the mean ± standard deviation of three independent determinations.
Reference
The concentrations obtained in both phases and the corresponding Log P are presented as a function of time during the three independent slow-stirring experiments in the following tables.
First experiment | ||||
Date | Water concentration (mg/L) | Octanol concentration (mg/L) | log P | |
13/06/2013 16:00 | 155.79 | 172.03 | 3.04 | |
14/06/2013 08:00 | 171.67 | 196.31 | 3.06 | |
14/06/2013 12:00 | 181.67 | 607.07 | 3.52 | |
14/06/2013 16:00 | 210.96 | 183.10 | 2.94 | |
17/06/2013 08:00 | 214.37 | 189.61 | 2.95 | |
17/06/2013 13:00 | 239.22 | 176.58 | 2.87 |
Second experiment | |||
Date | Water concentration (mg/L) | Octanol concentration (mg/L) | log P |
13/06/2013 16:00 | 137.72 | 158.96 | 3.06 |
14/06/2013 08:00 | 170.67 | 182.27 | 3.03 |
14/06/2013 12:00 | 166.38 | 169.93 | 3.01 |
14/06/2013 16:00 | 236.74 | 167.64 | 2.85 |
17/06/2013 08:00 | 229.66 | 179.72 | 2.89 |
17/06/2013 13:00 | 230.71 | 174.87 | 2.88 |
Third experiment | |||
Date | Water concentration (mg/L) | Octanol concentration (mg/L) | log P |
13/06/2013 16:00 | 134.59 | 184.15 | 3.14 |
14/06/2013 08:00 | 162.30 | 162.44 | 3.00 |
14/06/2013 12:00 |
171.89 |
170.72 |
3.00 |
14/06/2013 16:00 |
221.27 |
176.61 |
2.90 |
17/06/2013 08:00 |
258.09 |
165.89 |
2.81 |
17/06/2013 13:00 |
229.76 |
192.85 |
2.92 |
A pH of 5 was obtained at the end of the three experiments.
Demonstration of attainment of equilibrium
Achievement of chemical equilibrium is demonstrated when a regression of the 1-octanol/water concentration ratio against time over a time span of four time points yields a slope that is not significantly different from zero at a p-level of 0.05.
The four first points of the first experiment are used in the following explanation and the slope (b1) was obtained : b1 = 0.107
Log P calculation
The previous procedure was conducted on the experimental data obtained for the three experiment to demonstrate the attainment of equilibrium. When the equilibrium was demonstrated, the value of log P of the experimental unit (Log Pi) was calculated as the average value of log P for the part of the curve of Log P vs. time curve, for which equilibrium has been demonstrated. The statistical weight assigned to the log P value of the experimental unit i (wi), corresponding to the inverse of the variance of the results at the equilibrium period, was calculated. These results are presented in the tables below.
FIRST EXPERIMENT | ||||
Date | log P | Equilibrium attained ? | Log Pi | wi |
13/06/2013 16:00 | 3.04 |
|||
14/06/2013 08:00 | 3.06 | |||
14/06/2013 12:00 | 3.52 | |||
14/06/2013 16:00 | 2.94 | YES | ||
17/06/2013 08:00 | 2.95 | YES | ||
17/06/2013 13:00 | 2.87 | YES | 3.07 | 10.74 |
SECOND EXPERIMENT | ||||
Date | log P | Equilibrium attained ? | Log Pi | wi |
13/06/2013 16:00 | 3.06 | |||
14/06/2013 08:00 | 3,03 | |||
14/06/2013 12:00 | 3.01 | |||
14/06/2013 16:00 | 2.85 | YES | ||
17/06/2013 08:00 |
2.89 |
YES |
|
|
17/06/2013 13:00 | 2.88 | YES | 2.91 | 205.45 |
THIRD EXPERIMENT |
||||
Date |
log P |
Equilibrium attained ? |
Log Pi |
wi |
13/06/2013 16:00 |
3.14 |
|
|
|
14/06/2013 08:00 |
3.00 |
|
|
|
14/06/2013 12:00 |
3.00 |
|
|
|
14/06/2013 16:00 |
2.90 |
NO |
||
17/06/2013 08:00 | 2.81 | YES | ||
17/06/2013 13:00 | 2.92 | YES | 2.91 | 164.82 |
For the three experiments, equilibrium has been reached for the fifth and sixth samples. All the calculation was made using the sixth samples data.
Average log P
The log P value (log Pav) was calculated as the average of the results of the three individual experimental units weighted with their respective variances.
The calculation is performed as follows:
Log Pav = (Σwi × log Pi) × (Σwi)-1= 2.91 ± 0.02
Description of key information
The partition coefficient of dihydroterpineol multiconstituent was determined at 20°C by slow-stirring method according to OECD guideline 123.
log Pow = 2.91 ± 0.02.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.91
- at the temperature of:
- 20 °C
Additional information
Key study conducted according to OECD guideline 123. The result is scientifically acceptable but not obtained under GLP.
Therefore a reliability of 2 (reliable with restrictions) was assigned.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.