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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 700-879-7 | CAS number: 1379822-00-0
- 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:
- 2014-07-05 to 2014-08-07
- 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)
- Version / remarks:
- adopted 13 April 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- dated 31 May 2008
- Deviations:
- no
- 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:
- 2.12
- Temp.:
- 25 °C
- pH:
- >= 6 - <= 7
- Details on results:
- Additional experiment was performed with the hydrolysis product Aldehyd M. The samples of Aldehyd M and the test item were analysed by HPLC under the same conditions. The retention times and the profile of chromatograms are the same, therefore the evaluated peak of the test item and the results of the logPow refers to hydrolysis product Aldehyde M (2,2-Dimethyl-3-(4-morpho-linyl)propanal).
- Conclusions:
- Due to fast hydrolysis it was technically not possible to determine the partition coefficient log Pow of the parent test substance. Nevertheless the log Pow of the hydrolysis product was determined to be log Pow = 2.1 ± 0.005.
- Executive summary:
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test item. The test item consists of three imine groups which are known to be hydrolytically unstable. Therefore it was assumed that under the test conditions the substance will undergo hydrolysis forming the respective aldehyde and amine compounds. The hydrolysis products were determined to be aldehyde 2,2-dimethyl-3-(morpholin-4-yl)propanal (Aldehyde M) and Poly[oxy(methyl-1,2-ethanediyl)], alpha-hydro-omega-(2-aminomethylethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1) (Polyethertriamin) (please refer to IUCLID section 5.1.2). Using the HPLC method partition coefficient Pow was determined in three independent measurements. Taken the initial assumption into account two stock solution of the test substance and the hydrolysis product aldehyde M were prepared in acetonitrile. These stock solutions were diluted in the mobile phase (70 % methanol and 30 % water (v/v) resulting in concentrations of the test solutions of approximately 50 µg/mL. The resulting solution of was directly measured via HPLC-UV at 25 ± 1 °C. The reference item mix were analysed in six independent measurements and the test substance in three measurements respectively. For each reference item, the capacity factor K was calculated from the retention time of thiourea and the retention time of the respective reference item. A calibration function (log K versus log Pow, linear fit) was determined using the literature values for Pow of the reference items and the retention times in the six determinations. The coefficient of determination r2 of the calibration function log K/Log Pow was calculated. According to the guideline criteria this value was considered as sufficient to use the calibration function for the determination of the log Pow of the test item. The retention times and the profile of chromatograms are the same for the test item itself and the hydrolysis product aldehyde M. Therefore it was concluded that under the test condition the test item undergoes hydrolysis. Thus, the logPow of the parent substance could not be determined. The evaluated peak of the test item and the results of the logPow refers to hydrolysis product aldehyde M (2,2-Dimethyl-3-(4-morpho-linyl)propanal).The log Pow was determined to be 2.12 ± 0.024 at 25 °C.
Reference
Table 1.: Measured and calculated data of the reference substances | ||||||||||
Chemical name | log Pow OECD 117 | Retention time (min) | log k Calculated | Repeatability | Accuracy | log Pow Calculated | ||||
Thiourea | - | 2.61 | - | |||||||
2.61 | ||||||||||
2.61 | ||||||||||
2.61 | ||||||||||
2.61 | ||||||||||
2.61 | ||||||||||
Mean | 2.61 | |||||||||
CV% | 0.00 | |||||||||
Acetanilide | 1.0 | 3.35 | -0.547 | 0.02 | 0.30 | 0.7 | ||||
3.35 | -0.547 | 0.7 | ||||||||
3.34 | -0.553 | 0.7 | ||||||||
3.34 | -0.553 | 0.7 | ||||||||
3.34 | -0.553 | 0.7 | ||||||||
3.34 | -0.553 | 0.7 | ||||||||
Mean | 3.34 | -0.551 | 0.7 | |||||||
CV% | 0.15 | - | - | |||||||
Methyl Benzoate | 2.1 | 5.42 | 0.032 | 0.01 | 0.31 | 2.4 | ||||
5.42 | 0.032 | 2.4 | ||||||||
5.41 | 0.031 | 2.4 | ||||||||
5.41 | 0.031 | 2.4 | ||||||||
5.40 | 0.029 | 2.4 | ||||||||
5.40 | 0.029 | 2.4 | ||||||||
Mean | 5.41 | 0.031 | 2.4 | |||||||
CV% | 0.17 | - | - | |||||||
Ethyl Benzoate | 2.6 | 6.74 | 0.199 | 0.01 | 0.30 | 2.9 | ||||
6.75 | 0.200 | 2.9 | ||||||||
6.72 | 0.197 | 2.9 | ||||||||
6.72 | 0.197 | 2.9 | ||||||||
6.71 | 0.196 | 2.9 | ||||||||
6.71 | 0.196 | 2.9 | ||||||||
Mean | 6.73 | 0.198 | 2.9 | |||||||
CV% | 0.24 | - | - | |||||||
Diphenylamine | 3.4 | 8.26 | 0.335 | 0.01 | 0.10 | 3.3 |
| |||
8.26 | 0.335 | 3.3 |
| |||||||
8.22 | 0.332 | 3.3 |
| |||||||
8.22 | 0.332 | 3.3 |
| |||||||
8.21 | 0.332 | 3.3 |
| |||||||
8.21 | 0.332 | 3.3 |
| |||||||
Mean | 8.23 | 0.333 | 3.3 |
| ||||||
CV% | 0.29 | - | - |
| ||||||
Naphthalene | 3.6 | 9.14 | 0.398 | 0.01 | 0.12 | 3.5 |
| |||
9.15 | 0.399 | 3.5 |
| |||||||
9.10 | 0.396 | 3.5 |
| |||||||
9.10 | 0.396 | 3.5 |
| |||||||
9.09 | 0.395 | 3.5 |
| |||||||
9.09 | 0.395 | 3.5 |
| |||||||
Mean | 9.11 | 0.396 | 3.5 |
| ||||||
CV% | 0.29 | - | - |
| ||||||
Biphenyl | 4.0 | 11.71 | 0.542 | 0.01 | 0.09 | 3.9 |
| |||
11.72 | 0.543 | 3.9 |
| |||||||
11.66 | 0.540 | 3.9 |
| |||||||
11.66 | 0.540 | 3.9 |
| |||||||
11.64 | 0.539 | 3.9 |
| |||||||
11.65 | 0.540 | 3.9 |
| |||||||
Mean | 11.67 | 0.541 | 3.9 |
| ||||||
CV% | 0.28 | - | - |
| ||||||
Table 2.: Measured and calculated data of test item | |||||
Test Item name | Retention time (min) | log k | log Pow | Pow | Repeatability log unit |
Calculated | |||||
test item | 4.90 | -0.057 | 2.15 | 142 | 0.06 |
4.86 | -0.064 | 2.13 | 135 | ||
4.87 | -0.063 | 2.14 | 137 | ||
4.84 | -0.068 | 2.12 | 131 | ||
4.81 | -0.074 | 2.10 | 126 | ||
4.79 | -0.078 | 2.09 | 123 | ||
Mean | 4.85 | -0.067 | 2.12 | 132 | - |
Conf.int.(95%) | 0.04 | - | 0.024 | 7 | - |
CV% | 0.83 | - | - | - | - |
| |||||
The determined log Pow: 2.12 ± 0.024 (95 % confidence interval).
The estimated Pow: 132 ± 7 (95 % confidence interval).
The retention times and the profile of chromatograms are the same, therefore the evaluated peak of the test item and the results of the logPow refers to hydrolysis product Aldehyde M (2,2-Dimethyl-3-(4-morpho-linyl)propanal).
Description of key information
The substance hydrolysis fast in contact with water, thus it was technically not feasible to perform the study with the present substance. Instead the log Pow of the hydrolysis product was determined to be 2.12 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.12
- at the temperature of:
- 25 °C
Additional information
Hydrolysis
The substance consists of two imine groups which are known to be hydrolytically unstable. The substance will undergo hydrolysis forming the respective aldehyde and amine compounds (please refer to IUCLID section 5.1.2). The test item rapidly decomposes in contact with water under formation of the respective aldehyde 2,2-dimethyl-3-(morpholin-4-yl)propanal (Aldehyde M) and amine Poly[oxy(methyl-1,2-ethanediyl)], alpha-hydro-omega-(2-aminomethylethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1) (Polyethertriamin). Thus, for the environmental risk assessment log Pow of the substance itself and the hydrolysis product were evaluated.
Key study for the test item and the hydrolysis product aldehyde M
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test item. The test item consists of three imine groups which are known to be hydrolytically unstable. Therefore it was assumed that under the test conditions the substance will undergo hydrolysis forming the respective aldehyde and amine compounds. The hydrolysis products were determined to be aldehyde 2,2-dimethyl-3-(morpholin-4-yl)propanal (Aldehyde M) and Poly[oxy(methyl-1,2-ethanediyl)], alpha-hydro-omega-(2-aminomethylethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)- 1,3-propanediol (3:1) (Polyethertriamin) (please refer to IUCLID section 5.1.2). Using the HPLC method partition coefficient Pow was determined in three independent measurements. Taken the initial assumption into account two stock solution of the test substance and the hydrolysis product aldehyde M were prepared in acetonitrile. These stock solutions were diluted in the mobile phase (70 % methanol and 30 % water (v/v) resulting in concentrations of the test solutions of approximately 50 µg/mL. The resulting solution of was directly measured via HPLC-UV at 25 ± 1 °C. The reference item mix were analysed in six independent measurements and the test substance in three measurements respectively. For each reference item, the capacity factor K was calculated from the retention time of thiourea and the retention time of the respective reference item. A calibration function (log K versus log Pow, linear fit) was determined using the literature values for Pow of the reference items and the retention times in the six determinations. The coefficient of determination r2 of the calibration function log K/Log Pow was calculated. According to the guideline criteria this value was considered as sufficient to use the calibration function for the determination of the log Pow of the test item. The retention times and the profile of chromatograms are the same for the test item itself and the hydrolysis product aldehyde M. Therefore it was concluded that under the test condition the test item undergoes hydrolysis. Thus, the logPow of the parent substance could not be determined. The evaluated peak of the test item and the results of the logPow refers to hydrolysis product aldehyde M (2,2-Dimethyl-3-(4-morpho-linyl)propanal).The log Pow was determined to be 2.12 ± 0.024 at 25 °C.
Supporting study for the Hydrolysis product Poly[oxy(methyl-1,2-ethanediyl)], alpha-hydro-omega-(2-aminomethylethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)- 1,3-propanediol (3:1) (Polyethertriamin)
A supporting study was available (please refer to ECHA dossier for EC 500-105-6) which was conducted in accordance with Regulation (EC) No 440/2008. The test item possesses surface active properties. Therfore, in compliance with the ECHA guidance IR/CSA 7a, the logPow was obtained by determination of the individual solubility of the sample in each phase. Individual solubilities were determined by UV spectrophotometer analysis. The log Pow of the test item was determinmed to be -1.13 at 20 °C and pH = 12.7
Conclusion
Based on the results of the hydrolysis study it was concluded, that when getting into contact with water the substance undergoes fast hydrolysis. Thus, a experimental determination of the logPow of the parent compound is technically not possible. Instead the logPow of the respective aldehyde was determined to be 2.12 at 25 °C and the log Pow of the respective imine was determined to be 0.99.
For chemical hazard and exposure assessment the highest (worst case) logPow of the hydrolysis products (2.12 from Aldehyde M) was used.
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.