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EC number: 216-475-4 | CAS number: 1594-08-7
- 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:
- Experimental starting date: 16 February, 2015; Experimental completion date: 23 April, 2019; Study completion date: 02 October, 2020
- 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)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Specific details on test material used for the study:
- Identification: FAT 36038/J
Lot. 1404301
Appearance: Blue powder - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.02
- Remarks on result:
- other: pH not specified
- Conclusions:
- The partition coefficient (log Pow) of FAT 36038/J was determined to be 5.02.
- Executive summary:
The partition coefficient of FAT 36038/J was determined by the HPLC method as described in OECD Guideline 117. Based on the findings of the study, the log Pow was determined to be 5.02.
Reference
Reference substances: (1 mg/100 ml eluent)
CAS-number | Reference substance | Log POW |
71-43-2 | Benzene (VWR) | 2.1 |
108-88-3 | Toluene (VWR) | 2.7 |
93-99-2 | Isopropylbenzene (VWR) | 3.7 |
104-51-8 | n-Butylbenzene (VWR) | 4.6 |
206-44-0 | Fluoranthene (VWR) | 5.1 |
62-56-6 | Thiourea (VWR) | Determination of the dead |
Determination of partition coefficient
Substance | tr(min) | k =(tr-t0)/t0 | log k | Log POW | |
Thiourea (t0) | 2.08 |
|
|
| |
Benzene | 5.17 | 1.49 | 0.17189514 | 2.1 | |
Toluene | 7.17 | 2.45 | 0.38865445 | 2.7 | |
Isopropylbenzene | 13.31 | 5.40 | 0.73231642 | 3.7 | |
n-Butylbenzene | 22.88 | 10.00 | 1.00000000 | 4.6 | |
Fluoranthene | 28.67 | 12.78 | 1.10665500 | 5.1 | |
| |||||
|
|
|
|
| Log POW(calculated) |
FAT 36038/J (1) | 27.95 | 12.44 | 1.09473309 | 5.02 | |
FAT 36038/J (2) | 27.97 | 12.45 | 1.09506872 | 5.02 | |
FAT 36038/J (3) | 27.87 | 12.40 | 1.09338801 | 5.02 |
Calculation of log POW (test item):
0= -0.0275x2+0.5132x-0.7893-logk (test item)
log POW= (-b+(√(b2-4ac)))/(2a)
log POW= ((-0.5132)+( √(0.51322-4*(-0,0275)*(-0.7893-1.09473309))))/(2*-0.0275)
= 5.02
Description of key information
The partition coefficient (n-octanol / water) of FAT 36038/J was determed using A.8. partition coefficient n-octanol / water and OECD 107 and OECD 117, partition coefficient n-octanol/water. Based on the findings of the study, the partition coefficient (n-octanol/water) of FAT 36038/J at 20 °C, from the individual solubility in water and n-octanol, was determined to be (log Pow) approx. 5.0. Because the partition coefficient value calculated from the individual solubility of the test item in water and n-octanol of the log Pow is above 4, the OECD method 117 (HPLC method) is used to determine the precise partition coefficient. Based on the findings of HPLC investigations, the log Pow was determined to be 5.02.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.02
- at the temperature of:
- 20 °C
Additional information
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.