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EC number: 700-570-7 | CAS number: 1217271-49-2
- 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 2019-07-11 to 2019-09-02
- 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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Batch no.: I1900071-19158-AKM
- Purity: 99.8 % (aldimine titration)
- Expiry date: 2022-04-25 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.106
- Temp.:
- 30 °C
- pH:
- 10.18
- Details on results:
- The determined log Pow of the test item was 1.106 ± 0.000 (95 % confidence interval). The estimated Pow was 12.764 ± 0.000 (95 % confidence interval). Based on hydrolysis information, the test item is immediately hydrolysed in an aqueous medium. Hydrolysis products are the two known compounds below:
#1 hydrolysis product:
- CAS no.: 23588-51-4
- CAS name: 4-Morpholinepropanal, a,a-dimethyl-
- IUPAC name: 2,2-dimethyl-3-(morpholin-4-yl)propanal
- Common name: Aldehyde M
#2 hydrolysis product:
- CAS: 124-09-4
- CAS name: Hexamethylenediamine
- IUPAC name: 1,6-Hexanediamine
Only the #1 hydrolysis product is detectable by HPLC-UV. Based on this, results obtained in this study presumably refer to the 2,2-dimethyl-3-(morpholin-4-yl)propanal hydrolysis product of the test item.
The logPow of the #2 hydrolysis products is 0.4 at pH 13. This value is based on a weight of evidence approach and is relevant for the unionised form of the substance. At pH of ca. 10 (the pH value of the test item solution in this study), the experimentally determined partition coefficint of the #2 hydrolysis product is reported in the registration dossier to be 0.02. At this pH value the #2 hydrolysis product is in an ionised form. These values are below the measured logPow of the parent substance in this study and are supporting the statement that Sika Hardener MH has low potential for bioaccumulation based on its partition coefficient. - Conclusions:
- The log Pow of the test item was determined to be 1.106 ± 0.000 (95 % confidence interval). The estimated Pow was 12.764 ± 0.000 (95 % confidence interval).
- 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 substance using the HPLC method. A solution of the test substance was prepared in the mobile phase - 100 µg/mL. After equilibration of the HPLC system, the reference compound solutions and the test item solution were injected in two replicates and the procedure was repeated three times, hence, a total of 6 injections were made for each solution. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The log Pow of the test item was determined to be 1.106 ± 0.000 (95 % confidence interval). The estimated Pow was 12.764 ± 0.000 (95 % confidence interval). The measured logPow value under the test conditions is based on the #1 hydrolysis product, as #2 hydrolysis product could not be determined analytically. The logpow of #2 hydrolysis product was reported in the registration dossier to be 0.4 at pH13 for the unionised form and 0.02 at pH 10.3 for the ionised form. Both values support the measured logPow of Sika Hardener MH.
Reference
Table 1. Measured and calculated data of the reference compounds
Chemical name |
log Pow |
Retention time [min] |
log k |
Repeatability |
Deviation of calculated log Pow |
calculated log Pow |
Thiourea |
- |
0.55 |
- |
|||
0.55 |
||||||
0.55 |
||||||
0.55 |
||||||
0.55 |
||||||
0.55 |
||||||
Mean |
0.55 |
|||||
CV% |
0.00 |
|||||
2-butanone |
0.3 |
0.76 |
-0.418 |
0.033 |
- |
0.448 |
0.77 |
-0.398 |
0.481 |
||||
0.76 |
-0.418 |
0.448 |
||||
0.76 |
-0.418 |
0.448 |
||||
0.76 |
-0.418 |
0.448 |
||||
0.76 |
-0.418 |
0.448 |
||||
Mean |
0.76 |
-0.415 |
- |
0.154 |
0.454 |
|
CV% |
0.54 |
- |
- |
|||
Acetanilide |
1.0 |
0.85* |
-0.263 |
0.048 |
- |
0.702 |
0.86 |
-0.249 |
0.725 |
||||
0.85 |
-0.263 |
0.702 |
||||
0.85 |
-0.263 |
0.702 |
||||
0.84 |
-0.278 |
0.677 |
||||
0.85 |
-0.263 |
0.702 |
||||
Mean |
0.85 |
-0.263 |
|
0.298 |
0.702 |
|
CV% |
0.74 |
- |
- |
|||
Acetophenone |
1.7 |
1.69 |
0.317 |
0.006 |
- |
1.650 |
1.69 |
0.317 |
1.650 |
||||
1.69 |
0.317 |
1.650 |
||||
1.69 |
0.317 |
1.650 |
||||
1.68 |
0.313 |
1.644 |
||||
1.69 |
0.317 |
1.650 |
||||
Mean |
1.69 |
0.316 |
|
0.051 |
1.649 |
|
CV% |
0.24 |
- |
- |
|||
Methyl Benzoate |
2.1 |
3.08 |
0.663 |
0.003 |
|
2.216 |
3.08 |
0.663 |
2.216 |
||||
3.08 |
0.663 |
2.216 |
||||
3.08 |
0.663 |
2.216 |
||||
3.08 |
0.663 |
2.216 |
||||
3.07 |
0.661 |
2.213 |
||||
Mean |
3.08 |
0.663 |
|
0.116 |
2.216 |
|
CV% |
0.13 |
- |
- |
|||
Ethyl Benzoate |
2.6 |
6.17 |
1.009 |
0.000 |
- |
2.782 |
6.16 |
1.009 |
2.782 |
||||
6.17 |
1.009 |
2.782 |
||||
6.17 |
1.009 |
2.782 |
||||
6.17 |
1.009 |
2.782 |
||||
6.17 |
1.009 |
2.782 |
||||
Mean |
6.17 |
1.009 |
|
0.182 |
2.782 |
|
CV% |
0.07 |
- |
- |
|||
Benzophenone |
3.2 |
10.98 |
1.278 |
0.003 |
- |
3.222 |
10.97 |
1.278 |
3.222 |
||||
11.00 |
1.279 |
3.224 |
||||
11.01 |
1.279 |
3.224 |
||||
11.01 |
1.279 |
3.224 |
||||
11.02 |
1.280 |
3.225 |
||||
Mean |
11.00 |
1.279 |
|
0.024 |
3.224 |
|
CV% |
0.18 |
- |
- |
|||
Naphthalene |
3.6 |
15.33 |
1.429 |
0.005 |
- |
3.469 |
15.38 |
1.431 |
3.472 |
||||
15.42 |
1.432 |
3.474 |
||||
15.42 |
1.432 |
3.474 |
||||
15.43 |
1.432 |
3.474 |
||||
15.43 |
1.432 |
3.474 |
||||
Mean |
15.40 |
1.431 |
|
0.127 |
3.473 |
|
CV% |
0.26 |
- |
- |
*Reinjection, because of instrument failure (pressure fluctuation)
Table 2.: Measured and calculated data of the test item
Test Item name |
Retention time (min) |
log k |
log Pow |
Pow |
Repeatability log unit |
Calculated |
|||||
Test item |
1.08 |
-0.016 |
1.106 |
12.764 |
0.000 |
1.08 |
-0.016 |
1.106 |
12.764 |
||
1.08 |
-0.016 |
1.106 |
12.764 |
||
1.08 |
-0.016 |
1.106 |
12.764 |
||
1.08 |
-0.016 |
1.106 |
12.764 |
||
1.08 |
-0.016 |
1.106 |
12.764 |
||
Mean |
1.08 |
-0.016 |
1.106 |
12.764 |
- |
Confidence interval (95 %) |
0.0 |
- |
0.000 |
0.000 |
- |
CV% |
0.0 |
- |
- |
- |
- |
Description of key information
The log Pow of the test item was determined to be 1.106 ± 0.000 (95 % confidence interval) in a OECD 117 study. The estimated Pow was 12.764 ± 0.000 (95 % confidence interval).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.106
- at the temperature of:
- 30 °C
Additional information
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 substance using the HPLC method. A solution of the test substance was prepared in the mobile phase - 100 µg/mL. After equilibration of the HPLC system, the reference compound solutions and the test item solution were injected in two replicates and the procedure was repeated three times, hence, a total of 6 injections were made for each solution. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The log Pow of the test item was determined to be 1.106 ± 0.000 (95 % confidence interval). The estimated Pow was 12.764 ± 0.000 (95 % confidence interval). The measured logPow value under the test conditions is based on the #1 hydrolysis product, as #2 hydrolysis product could not be determined analytically. The logpow of #2 hydrolysis product was reported in the registration dossier to be 0.4 at pH13 for the unionised form and 0.02 at pH 10.3 for the ionised form. Both values support the measured logPow of Sika Hardener MH.
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.