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EC number: 203-047-7 | CAS number: 102-69-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Tripropylamine is not expected to significantly accumulate in organisms
Key value for chemical safety assessment
Additional information
QSAR-disclaimer:
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.
Furthermore, according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of the substance (Q)SAR results were used for aquatic bioaccumulation. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, and for reasons of animal welfare, further experimental studies on aquatic bioaccumulation are not provided.
Assessment:
Experimental data on the bioaccumulation of tripropylamine are not available; therefore, the bioaccumulation potential was assessed based on estimated BCF values of the valid and well-established QSAR model Catalogic BCF base-line DP v02.07 (OASIS Catalogic v5.15.2.14). The BCF-base-line DP model (such as the classic BCF-base-line model) is using as a base-line the maximum bioconcentration potential (logBCFmax) driven by passive diffusion as described by logKow. The base-line relationship between logBCFmax and logKow is described by well-known parabolic relationship. Subsequently, the logBCFmax is reduced by several mitigating factors, and namely: metabolism, molecular size, water solubility and ionization [Dimitrov et al., 2012]. Both CATALOGIC BCF models are having same mitigating factors and same formalism for their estimation. The only difference between BCF base-line model (classic) and BCF base-line DP model is the estimation of the ionization as a mitigating factor. In the BCF base-line model (classic) the ionization is estimated empirically for a limited number of chemicals that possess strong ionizing fragments, such as sulphonic acids and their alkaline salts, carboxylic acids and their alkaline salts, phosphoric acids and their alkaline salts, phenols with four or five halogen atoms. In the BCF base-line DP model the ionization is estimated explicitly using the ratio between distribution parameter D estimating the distribution of neutral and ionized species in octanol/water and P–presenting the distribution (partition) coefficient of neutral species in octanol/water: This explicit ionization term estimates the ionization of strong as well as weak ionizing fragments in molecules. Hence, this ionization term is applicable to any chemical and is not limited within the list of four strongly ionizing functional groups as in the BCF base-line model (classic). The distribution coefficient (D) is calculated using the external software such as Chemaxon (ACD could be also used). The BCF base-line DP model is recommended to be used in case of ionizing chemicals due to more adequate estimation of ionization as a mitigating factor for logBCFmax.
Since tripropylamine is present in its charged form under environmentally relevant conditions (pH 5 to pH 9), this model was chosen to take account for the charge of the substance. The Catalogic BCF base-line DP model calculates the BCF based on the log D. The worst-case value of log D = 1.73 @ pH 9 for the log D-values under environmentally relevant conditions from pH 5 to pH 9 was chosen for the calculation. As seen, ionization has a distinct impact on reducing the maximum bioconcentration potential of the chemical.
Considering mitigating factors like metabolism, molecular size, water solubulity and ionization the model predicted a BCF of 6.0 L/kg (log BCF = 0.78). Without considering any mitigating factors the BCF was determined to be 179.1 L/kg (log BCF = 2.25).
Based on these results, tripropylamine is not expected to significantly accumulate in organisms.
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.
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