Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]

Bioaccumulation: aquatic / sediment

Administrative data

Endpoint:

bioaccumulation: aquatic / sediment

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

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other: unpublished calculation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:

2009

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine 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 (with 40-60 percentages in a substance) and the C18 derivates. The bioconcentration factors BCF of the C8, C12 and C18 derivates were calculated using EPIWIN v4.0, BCFBAF v3.00.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]

EC Number:

930-947-3

Cas Number:

146987-98-6

Molecular formula:

R-CO(NH)(CH2)(CH2)(CH2)N(Me2), whereas R=C8-18 (even numbered)

IUPAC Name:

Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]

Radiolabelling:

no

Study design

Test type:

other: calculation

Test conditions

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF
- Estimation software: EPIWIN v4.0, BCFBAF v3.00
- Result based on calculated log Pow of: C8 derivate: log Kow = 2.44, C12 derivate: log Kow=4.4 and C18 derivate: log Kow = 7.35 (at 25 °C each)

Results and discussion

Bioaccumulation factor

Bioaccumulation factor 1

Type:

BCF

Value:

6

Remarks on result:

other: C8 derivate (Arnot-Gobas method)

Bioaccumulation factor 2

Type:

BCF

Value:

27

Remarks on result:

other: C 12 derivate (Arnot-Gobas method)

Bioaccumulation factor 3

Type:

BCF

Value:

32

Remarks on result:

other: C18 derivate (Arnot-Gobas method)

Any other information on results incl. tables

Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine 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 (with 40-60 percentages in a substance) and the C18 derivates. Bioconcentration factors BCF of 6 (C8 derivate), 27 (C12 derivate); 32 (C18 derivate) according to Arnot-Gobas method and BCF of 18.88 L/kg wet-wt (C8 derivate), 15.77 L/kg wet-wt (C12 derivate), 2271 L/kg wet-wt (C18 derivate) according to regression-based method were calculated using EPIWIN v4.0, BCFBAF v3.00. Based on the results, it is to be expected that the C8 and C12 derivate have a very low and the C18 derivate a high potential for bioaccumulation. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results and the conclusions thereof should be treated with care.

Applicant's summary and conclusion

Validity criteria fulfilled:

not applicable

Conclusions:

Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine 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 (with 40-60 percentages in a substance) and the C18 derivates. Bioconcentration factors BCF of 6 (C8 derivate), 27 (C12 derivate); 32 (C18 derivate) according to Arnot-Gobas method and BCF of 18.88 L/kg wet-wt (C8 derivate), 15.77 L/kg wet-wt (C12 derivate), 2271 L/kg wet-wt (C18 derivate) according to regression-based method were calculated using EPIWIN v4.0, BCFBAF v3.00. Based on the results, it is to be expected that the C8 and C12 derivate have a very low and the C18 derivate a high potential for bioaccumulation. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results and the conclusions thereof should be treated with care.

Executive summary:

Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine 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 (with 40-60 percentages in a substance) and the C18 derivates. Bioconcentration factors BCF of 6 (C8 derivate), 27 (C12 derivate); 32 (C18 derivate) according to Arnot-Gobas method and BCF of 18.88 L/kg wet-wt (C8 derivate), 15.77 L/kg wet-wt (C12 derivate), 2271 L/kg wet-wt (C18 derivate) according to regression-based method were calculated using EPIWIN v4.0, BCFBAF v3.00. Based on the results, it is to be expected that the C8 and C12 derivate have a very low and the C18 derivate a high potential for bioaccumulation. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results and the conclusions thereof should be treated with care.