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Diss Factsheets
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EC number: 268-407-8 | CAS number: 68083-58-9
- 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:
- 12 March 2015
- 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:
- yes
- Remarks:
- Due to technical reasons, standards were injected separately instead of simultaneously
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- yes
- Remarks:
- Due to technical reasons, standards were injected separately instead of simultaneously
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 3.55
- Temp.:
- 22.4 °C
- Remarks on result:
- other: Mean of 2 runs. Run 1: 3.55 (CI 3.43 - 3.68); Run 2: 3.55 (3.43 - 3.67)
- Details on results:
- An individual log Pow value of 3.55 ± 0.05 (95 % CI 3.43 to 3.68) was obtained with the first and of 3.55 ± 0.05 (95 % CI 3.43 to 3.67) was obtained with the second calibration. The individual values did not differ more than ± 0.1 log Pow units. Based on these data a mean log Pow value of 3.55 was derived.
- Conclusions:
- The partition coefficient (log Pow) for 1,3-dimethyl-3-phenylbutyl acetate was determined to be 3.55 at 22.4 ºC using the HPLC method.
- Executive summary:
The partition coefficient of the test item was determined using the HPLC method following OECD guideline 117 (2015). The study is considered reliable and relevant for use for this endpoint. The partition coefficient log Pow for 1,3-dimethyl-3-phenylbutyl acetate was determined to be 3.55 at 22.4 ºC.
Reference
No pH value was measured for the mobile phase, because it is neutral and the test item does not have functional groups which influence the pH value of the mobile phase.
Retention Times, Capacity Factors and Partition Coefficients of Test Item
Test Item |
tR (min) |
K |
log K |
log Pow |
|
Ist calibration |
2ndcalibration |
||||
6.128 |
10.7 |
1.03 |
3.55 ± 0.05 3.43 to 3.68 (95 % CI)
|
3.55 ± 0.05 3.43 - 3.67 (95% CI)
|
|
6.124 |
10.6 |
1.03 |
|||
Mean |
6.126 |
10.7 |
1.03 |
3.55 |
tR: Retention time
K: Capacity factor test item
Pow: Partition Coefficient(n-octanol / water)
CI : Confidence Interval
The test was considered valid because:
• A signal-to-noise ratio > 3 was provided for NaNO3, reference and the test items.
• The value of log Pow derived from repeated measurements made under identical conditions
and using the same set of reference items fell within a range of ± 0.1 log units.
• The correlation coefficient r for the calibration curves was > 0.9.
• The column temperature during the measurement did not differ more than ± 1 °C
Description of key information
The partition coefficient (log Pow) for 1,3-dimethyl-3-phenylbutyl acetate was determined to be 3.55 at 22.4 ºC.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.55
- at the temperature of:
- 22.4 °C
Additional information
The partition coefficient of the test item was determined using the HPLC method following OECD guideline 117 (2015). The study is considered reliable and relevant for use for this endpoint.
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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