Registration Dossier
Registration Dossier
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EC number: 701-052-3 | CAS number: 146987-98-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: no information available whether the calculation model is validated for the substance under investigation
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl] represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 and the C18 derivates. The n-octanol/water partition coefficients log Kow were calculated using EPIWIN v4.0, KOAWIN v1.10.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
- IUPAC Name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 2.44
- Temp.:
- 25 °C
- Remarks on result:
- other: C8 derivate
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 25 °C
- Remarks on result:
- other: C12 derivate
- Type:
- log Pow
- Partition coefficient:
- 7.35
- Temp.:
- 25 °C
- Remarks on result:
- other: C18 derivate
Applicant's summary and conclusion
- Conclusions:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl] represents a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 (with 40-60 percentages in a substance) and the C18 derivates. n-Octanol/water partition coefficients log Kow of 2.44 (C8 derivate), 4.40 (C12 derivate) and 7.35 (C18 derivate, at 25°C each) were calculated using EPIWIN v4.0, KOAWIN v1.10. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.
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