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EC number: 295-184-4 | CAS number: 91845-13-5
- 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
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- Testing was conducted between 18 October 2010 and 17 December 2010.
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The partition coefficient was estimated using a computer-based atom fragment contribution method, KOWWIN, version 1.67a (Sept 2008), © 2000 U.S. Environmental Protection Agency.
- Justification for type of information:
- No determination was possible according to Methods 107 and/or 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and 13 April 2004, respectively, due to the following reasons: An assessment of the emulsification properties of the test item was carried out with the test item prepared in water saturated n-octanol and shaken with an equal amount of n-octanol saturated water. Observations during this test showed that the two immiscible phases emulsified easily; additionally, after 2½ hours standing, there were still three layers visible, the middle layer being a white emulsion. Surface-active test items are not suitable for determination by the flask-shake method or the HPLC method. Estimation using the ratio of the solubility of the test item in n-octanol and water would also be unreliable due to the possible self-aggregation properties shown by surfactants. Therefore, the partition coefficient was estimated using the computer-based atom fragment contribution method, KOWWIN, version 1.67a (Sept 2008), © 2000 U.S. Environmental Protection Agency. Using the computer-based atom fragment contribution method, KOWWIN, version 1.67a, © 2000 US Environmental Protection Agency, the partition coefficient (log10 Pow) of the test item was estimated to be greater than or equal to 13.5.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- The partition coefficient was estimated using a computer-based atom fragment contribution method, KOWWIN, version 1.67a (Sept 2008), © 2000 U.S. Environmental Protection Agency.
- GLP compliance:
- no
- Type of method:
- other: Estimated by calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Additiv 309
- IUPAC Name:
- Additiv 309
- Details on test material:
- Sponsor's identification: Additiv 309
Description : Brown liquid
Batch number : 651098135
Purity : Technical:
Amine: >90% Oleylpropylenediamine(>98% Fatty acid diamine)
Water: max 0.5%
Distilled tall oil: >95% fatty acid
(ca. 5% unsaponifiables)
Date received : 03 September 2010
Expiry Date : 31 March 2012
Storage conditions: room temperature in the dark
Constituent 1
Study design
- Analytical method:
- other: Estimated by calculation only
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- >= 13.5
- Details on results:
- The results are presented in the attached file "Appendix 2".
Any other information on results incl. tables
Discussion
The Sponsor indicated that the test item was a complex reaction mixture of tall oil acids, with (Z)-N-9-octadecenyl-1,3-propanediamine. Therefore, the limit value given was based on the initial (1:1), secondary amide reaction product of pimaric acid (the carboxylic acid group with the lowest estimated log10Pow) with the (Z)-N-9-octadecenyl-1,3-propanediamine.
Applicant's summary and conclusion
- Conclusions:
- Using the computer-based atom fragment contribution method, KOWWIN, version 1.67a, © 2000 US Environmental Protection Agency, the partition coefficient (log10 Pow) of the test item was estimated to be greater than or equal to 13.5.
- Executive summary:
Method
No determination was possible according to Methods 107 and/or 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and 13 April 2004, respectively, due to the following reasons:
- An assessment of the emulsification properties of the test item was carried out with the test item prepared in water saturated n-octanol and shaken with an equal amount of n-octanol saturated water. Observations during this test showed that the two immiscible phases emulsified easily; additionally, after 2½ hours standing, there were still three layers visible, the middle layer being a white emulsion. Surface-active test items are not suitable for determination by the flask-shake method or the HPLC method.
- Estimation using the ratio of the solubility of the test item in n-octanol and water would also be unreliable due to the possible self-aggregation properties shown by surfactants.
Therefore, the partition coefficient was estimated using the computer-based atom fragment contribution method, KOWWIN, version 1.67a (Sept 2008), © 2000 U.S. Environmental Protection Agency.
Discussion
The Sponsor indicated that the test item was a complex reaction mixture of tall oil acids, with (Z)-N-9-octadecenyl-1,3-propanediamine. Therefore, the limit value given in Section 8.4 was based on the initial (1:1), secondary amide reaction product of pimaric acid (the carboxylic acid group with the lowest estimated log10Pow) with the (Z)-N-9-octadecenyl-1,3-propanediamine.
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