Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

Significant accumulation in organisms is not to be expected.

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 3-aminopropan-1-ol (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

No studies are available for the bioaccumulation assessment of the test item. According to Regulation (EC) 1907 (2006) Annex IX section 9.3.2 column 2, a study on bioaccumulation does not need to be conducted as the substance has a low potential for bioaccumulation (e.g. log Kow ≤ 3). The target substance 3-aminopropan-1-ol (CAS 156-87-6) has a log Kow of -1.12 (measured; Hansch et al., 1995).  

However, in order to assess the bioaccumulation potential of the test substance, the BCF was calculated with several estimation models. The table below lists the applied (Q)SAR models, the estimated BCF values and basic information on the applicability domain (AD). Detailed information on the model’s results and the AD are given in the endpoint study records of IUCLID Chapter 5.3.1. The selected models comply with the OECD principles for (Q)SAR models.

 

Summary of relevant information on aquatic bioaccumulation: Predicted BCF values for applied QSAR models sorted by BCF (AD = Applicability Domain)

Model

BCF

In AD

Restraints

BCFBAF v3.01

(EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation

0.9

yes

As the substance does appreciably ionize, the estimation may be less accurate

BCFBAF v3.01

(EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero

0.9

yes

As the substance does appreciably ionize, the estimation may be less accurate

US EPA T.E.S.T. v4.2.1: Bioaccumulation: Consensus method

0.99

yes

-

CAESAR v2.1.14

(VEGA v1.1.3)

1.95

no

- only moderately similar compounds with known experimental value in the training set have been found

- 1 descriptor(s) for this compound have values outside the descriptor range of the compounds of the training set.

BCF KNN/Read-Across v1.1.0

(VEGA v1.1.3)

1.5

yes

-

BCF baseline model v.03.10 (OASIS Catalogic v5.13.1): 

incl. mitigating factors, log Kow = -1.04 (BASF AG, 1988)

2.51

yes

-

Meylan v1.0.3 (VEGA v1.1.3)

3.16

no

- only moderately similar compounds with known experimental value in the training set have been

found

- reliability of logP value used by the model is not optimal

- Molecular Weight of this compound is outside the defined range [68.08,959.17].

BCFBAF v3.01

(EPI Suite v4.11): Meylan et al.(1997/1999)

3.2

yes

-

BCF baseline model v.03.10 (OASIS Catalogic v5.13.1): not considering mitigating factors,  

log Kow = -1.04 (BASF AG, 1988)

9.31

yes

-

 

 

Based on the available information on the log Kow (log Kow = -1.12; Hansch et al., 1995) and a weight-of-evidence approach, it can be concluded that significant bioaccumulation in organisms is not to be expected.