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EC number: 486-070-7 | 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:
- from 26 SEP 2007 to 23 JAN 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: High performance liquid chromatograph (HPLC) with UV-VIS detector, reversed phase column and an aqueous mobile phase
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.89
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not reported
- Details on results:
- Six common standards, which have known log Pow values were used as reference standards. For the determination of the dead time a thiourea solution was used. From the regression curve (log k' vs. log Pow) the n-octanol / water partition coefficient (log Pow) of DIMETHYL 2-METHYL GLUTARATE was calculated and found to be log Pow = 0.89
- Conclusions:
- Using the HPLC method, the n-octanol / water partition coefficient of DIMETHYL 2-METHYL GLUTARATE was determined to be log Pow = 0.89
Therefore, DIMETHYL 2-METHYL GLUTARATE is considered to have a low potential for bioaccumulation. - Executive summary:
The determination of the partition coefficient (n-octanol/water) of DIMETHYL 2-METHYL GLUTARATE was performed according to the EEC Directive 92/69, A.8 “Partition coefficient” (1992) and the OECD guideline No. 117, “Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method” (2004).
During the preliminary test, the log Pow of DIMETHYL 2-METHYL GLUTARATE was estimated to be 1.3. Thus having the free choice between both methods, the HPLC-method was chosen to conduct the main test. Six common standards, which have known log Pow values in the range of 0.5 to 4.2, were used as reference standards during the main test.
The DIMETHYL 2-METHYL GLUTARATE solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice.
The log Pow was calculated using a regression curve (log k' vs. log Pow) and was found to be 0.89. Therefore, DIMETHYL 2-METHYL GLUTARATE is considered to have a low potential for bioaccumulation.
Reference
Table 1: Retention Times in Minutes of the Reference Items and the Test Item
|
Number of analysis |
Mean retention time (min) |
k’ |
Log k’ |
Log Pow |
Thiourea (= dead time) |
2 |
1.93 |
- |
- |
- |
Reference items: |
|||||
4-Acetylpyridine Benzene Toluene Bromobenzene 1,4-Dichlorobenzene 1, 2, 4-Trichlorobenzene |
6 6 6 6 6 6 |
2.82 5.81 8.67 9.53 12.87 23.45 |
0.46 2.01 3.49 3.94 5.67 11.16 |
-0.34 0.30 0.54 0.60 0.75 1.05 |
0.5 2.1 2.7 3.0 3.4 4.2 |
Slope = 0.372 Linear Regression: y-axis intercept = -0.5 Coefficient of regression (r) = 0.999 |
Table 2: Result of DIMETHYL 2-METHYL GLUTARATE analyses
Number of analysis |
Retention time (min) |
k’ |
Log k’ |
Log Pow |
Mean log Pow |
Test item peak |
|||||
1 2 3 |
3.24 3.23 3.23 |
0.68 0.68 0.68 |
-0.16934 -0.17000 -0.17000 |
0.89 0.89 0.89 |
0.89 |
The tabulated values represent rounded results, which were obtained by calculation using the
exact raw data.
Description of key information
The log Pow was calculated using a regression curve (log k' vs. log Pow) and was found to be 0.89. Therefore, DIMETHYL 2-METHYL GLUTARATE is considered to have a low potential for bioaccumulation.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.89
- at the temperature of:
- 25 °C
Additional information
One experimental study, scored as Klimisch 1, is available (Weissenfeld M., 2008) and selected as a key study.
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