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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
water solubility
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Model considered reliable by OECD

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Determination of physico-chemical properties and environmental fate using EPIWIN v4.0
Author:
Evonik
Year:
2009
Bibliographic source:
http://epa.gov/oppt/exposure/pubs/episuite.htm

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 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 derivate (with 40-60 percentages in a substance) and the C18 derivates. The water solubilities of the C8, C12 and C18 derivates were calculated using EPIWIN v4.0, WSKOW v1.41.
GLP compliance:
no
Remarks:
not applicable
Type of method:
other: QSAR

Test material

Constituent 1
Reference substance name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
IUPAC Name:
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]

Results and discussion

Water solubilityopen allclose all
Water solubility:
257 mg/L
Temp.:
25 °C
Remarks on result:
other: C8 derivate
Water solubility:
2.6 mg/L
Temp.:
25 °C
Remarks on result:
other: C12 derivate
Water solubility:
0.003 mg/L
Temp.:
25 °C
Remarks on result:
other: C18 derivate

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): other: insoluble - soluble
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 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. Based on the log Kow values of 2.44 (C8 derivate), 4.4 (C12 derivate) and 7.35 (C18 derivate), water solubilities of 257 mg/L (C8 derivate), 2.623 mg/L (C12 derivate) and 0.0025 mg/L (C18 derivate, at 25 °C each) were calculated using EPIWIN v4.0, WSKOW v1.41. The calculation of the water solubilities using the fragment method yielded values of 4660 mg/L (C8 derivate), 41.269 mg/L (C12 derivate) and 0.032 mg/L (C18 derivate; at 25°C each). According to the classification scheme, the C8 derivate can be regarded as moderately soluble (result based on log Kow estimate) and soluble (result obtained via the fragment method), the C12 slightly soluble and the C18 derivate as insoluble (results based on log Kow estimate and fragment method). 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.