1,4-bis(vinyloxy)butane

Adsorption / desorption

Description of key information

Study on adsorption/desorption waived based on estimated low log Kow of 1.48. Supporting Koc QSAR data derived from EPI Suite by the First Order Molecular Connectivity Index (log Koc = 1.42) and by the log Kow method (log Koc = 1.56) are very coherent. All available evidence therefore suggests that the substance can be classified as mobile in the environment. The higher of these two values of log Koc = 1.56 shall be used for chemical risk assessment.

Key value for chemical safety assessment

Koc at 20 °C:

30.9

Additional information

Data waiver:

Based on Regulation EC 1907/2006, column 2 of Annex VIII, the study does not need to be conducted if based on the physicochemical properties the substance can be expected to have a low potential for adsorption. Supporting data derived from EPIWIN QSAR computations are indicating that the substance has a low log Kow of 1.48. Based on ECHA "Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a: Endpoint specific guidance", version 3.0, August 2014, p136, in practice, a cut-off value of log Kow = 3 can be applied for adsorption potential. According to p137 of the same document, in general an estimated value will be sufficient if it is indicated that the adsorption coefficient will not affect the CSA, i.e. no risk is identified for the sediment/soil compartments. Based on these grounds the study on adsorption/desorption can be waived.

QSAR computations:

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 labelling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.

For the assessment of Cyclohexanemethanol, 4-[(ethenyloxy)methyl]-(Q)SAR results were used for Adsortion/desorption and for Henry's Law constant. 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, further experimental studies on Adsorption/desorption and Henry's Law Coefficient are not provided.

Supporting Koc data derived from EPI Suite:

Supporting Koc QSAR data derived from EPI Suite by the First Order Molecular Connectivity Index (log Koc = 1.42) and by the log Kow method (log Koc = 1.56) are very coherent. According to the mobility classification developed by FAO and recommended for use in EFED when it is appropriate to describe the compound's sorption using KOC values (FAO, 2000; USEPA, 2006), substances with a log Kow between 1 and 2 are classified as mobile. All available evidence therefore suggests that the substance is not adsorbing to particulate matter in the environment. The higher of the two values obtained by QSAR computation of log Koc = 1.56 shall be used for chemical risk assessment.

[LogKoc: 1.49]