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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
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EC number: 928-226-3 | CAS number: 1179884-99-1
- 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
![](https://poisoncentres.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- Between 16 July 2012 and 26 November 2012.
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in accordance with generally accepted scientific principles, possibly with incomplete reporting or methodological deficiencies, which do not affect the quality of the relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Fragment Constant Methodology
- Deviations:
- no
- Principles of method if other than guideline:
- The partition coefficient was estimated by fragment constant methodology using the specialized chemical estimation software KOWWIN, version 1.68 (September 2010), © 2000 US Environmental Protection Agency.
- GLP compliance:
- yes
- Type of method:
- other: Fragment Constant Methodology
- Partition coefficient type:
- other: Fragment Constant Methodology
Test material
- Reference substance name:
- PU Thickener
- IUPAC Name:
- PU Thickener
- Test material form:
- other: Beige solid pieces
- Details on test material:
- Identification: PU Thickener
Description: Beige solid pieces
Purity: > 98%
Expiry / Retest Date: 14 June 2015
Storage Conditions: Room temperature, in the dark
Constituent 1
Study design
- Analytical method:
- other: It was not feasible to complete
Results and discussion
- Details on results:
- The estimated partition coefficient values (log10 Pow) for three representative structures of the components of the test item are shown in Executive Summary section below.
Any other information on results incl. tables
Results
Validation
The validation data is shown in the following table:
Table 3.5
Chemical name |
CAS No. |
Known log10Pow |
KOWWIN value |
Hexadecanoic acid |
57-10-3 |
7.17 |
6.96 |
Eicosanoic acid |
506-30-9 |
9.29 |
8.93 |
Heptanedioic acid |
111-16-0 |
0.61 |
0.72 |
Nonanedioic acid |
123-99-9 |
1.57 |
1.70 |
n-Nonanol |
143-08-8 |
3.77 |
3.30 |
Dodecanol |
112-53-8 |
5.13 |
4.77 |
Dodecanoic acid, methyl ester |
111-82-0 |
5.41 |
5.28 |
Tetradeconanoic acid, methyl ester |
124-10-7 |
6.41 |
6.27 |
Hexadecanoic acid, methyl ester |
112-39-0 |
7.38 |
7.25 |
Propanedioic acid, diethyl ester |
105-53-3 |
0.96 |
0.90 |
2-Propenoic acid, diester derivative |
109-16-0 |
1.88 |
1.66 |
Hexanedioic acid, monoethyl ester |
626-86-8 |
0.91 |
1.59 |
Acetylsalicylic acid |
50-78-2 |
1.19 |
1.13 |
Benzylamine hydrochloride |
3287-99-8 |
-1.96 |
-2.12 |
Benzenebutanamine hydrochloride |
30684-06-1 |
-0.70 |
-0.64 |
Ethyltrimethylammonium iodide |
51-93-4 |
-3.14 |
-3.69 |
Triethyl methyl ammonium iodide |
302-57-8 |
-2.13 |
-2.71 |
Tetraethylammonium chloride |
56-34-8 |
-3.15 |
-2.22 |
n-Hexylamine |
111-26-2 |
2.06 |
1.82 |
n-Octlyamine |
111-86-4 |
2.90 |
2.80 |
n-Propanol, 3 amino- |
156-87-6 |
-1.12 |
-1.12 |
Diethanolamine |
111-42-2 |
-1.43 |
-1.71 |
n-Decane |
124-18-5 |
5.01 |
5.25 |
n-Dodecane |
112-40-3 |
6.10 |
6.23 |
n-Tetradecane |
629-59-4 |
7.20 |
7.22 |
All software estimates were within one log unit and therefore the software was considered to be valid for the estimation of the individual components present in the test item.
Computer Estimation
The calculations for three representative structures of the test item are presented in full in Appendix 1 (Attachment 1 of this Summary). The results are summarized in the following table:
Table 3.6
Component |
Estimated Log10Pow |
Trimer |
19.1 |
Pentamer |
30.2 |
Heptamer |
41.3 |
Applicant's summary and conclusion
- Conclusions:
- Please see the Executive Summary section below for the Conclusion section of the report.
- Executive summary:
No determination was possible according to Method A8 of Commission Regulation (EC) No 440/2008 (as amended) of 30 May 2008 or Method 107 or 117 of the OECD Guidelines for Testing of Chemicals, 22 January 2001, due to the low solubility of the test item in water and organic solvents.
The partition coefficient was estimated by fragment constant methodology using the specialized chemical estimation software KOWWIN, version 1.68 (September 2010), © 2000 US Environmental Protection Agency.
Conclusion
The estimated partition coefficient values (log10Pow) for three representative structures of the components of the test item are shown in the following table:
Table 3.7
Component
Estimated Log10Pow
Trimer
19.1
Pentamer
30.2
Heptamer
41.3
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.
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