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EC number: 940-437-2 | CAS number: 926-50-1
- 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:
- 27 March to 24 April 2013
- 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 - HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.8
- Temp.:
- 35 °C
- pH:
- 7
- Conclusions:
- The substance has low potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4).
- Executive summary:
The n-octanol/water Partition Coefficient of the test item was determined according to the OECD guideline No. 117 (HPLC method), and under GLP.
After calibration with 6 reference substances, with logKow ranging from 1.1 to 4.2, the capacity factors k derived from retention times tR were calculated. Both calibration mixture and test item (in phosphate buffer) were injected twice. The logKow of the test item was derived from the calibration linear regression parameters of the relationship log Kow= f (log k).
The Partition coefficient n-octanol/water of test item was determined as logKow = 1.8 (at pH7).
Reference
Table 4.7/1: Partition Coefficient determination by reverse-phase HPLC
REFERENCE SUBSTANCES |
log POW |
tR1 |
tR2 |
tRm |
k |
log k |
Thiourea |
|
2.100 |
2.000 |
2.05 |
|
|
Benzyl alcohol |
1.1 |
2.652 |
2.645 |
2.65 |
0.292 |
-0.535 |
Benzene |
2.1 |
3.808 |
3.800 |
3.80 |
0.856 |
-0.068 |
Toluene |
2.7 |
4.747 |
4.735 |
4.74 |
1.313 |
0.118 |
1 ,4-Dichlorbenzene |
3.4 |
5.874 |
5.860 |
5.87 |
1.862 |
0.270 |
Cumene |
3.7 |
7.115 |
7.009 |
7.11 |
2.467 |
0.392 |
1,2,4-Trichlorobenzene |
4.2 |
8.827 |
8.808 |
8.82 |
3.301 |
0.519 |
Test item |
1.8 |
3.269 |
3.268 |
3.269 |
0.5944 |
-0.2259 |
tR1, tR2, tRm: retention times (1st measurement, 2nd measurement, average)
k = (tR/t0)-1: capacity factor,
t0: "dead time", i.e. retention time of thiourea
Linear regression parameters: log Pow = a * log k + b
Correlation coefficient r = 0.9899
a = 2.9741
b = 2.5214
Description of key information
The data is relevant for classification in aquatic chronic toxicity hazard class, according to CLP criteria.
The substance has low potential for bioaccumulation (log Kow <4).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.8
- at the temperature of:
- 35 °C
Additional information
A fully reliable experimental study, conducted according to a recognized OECD method and under GLP, is available.
It is considered as a key study; the result is retained as key data for CSA.
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.