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Henry's Law constant

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Description of key information

Mochon roh (EC 947-389-1) will not evaporate from the water surface into the atmosphere.

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.

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 reaction mass of 4-methoxyphenol and 4-methoxy-cyclohexanone and 4-methoxy-cyclohexanol (EC 947-389-1; Mochon roh) (Q)SAR results were used for the estimation of the 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 the Henry’s Law Constant are not provided.

 

Assessment

The Henry's Law constant was calculated for 4-methoxycyclohexanone (CAS 13482-23-0), 4-Methoxycyclohexan-1-ol (CAS 18068-06-9), Mequinol (CAS 150-76-5) which are representative constituents of the Reaction mass of 4-methoxyphenol and 4-methoxy-cyclohexanone and 4-methoxy-cyclohexanol (EC 947-389-1; Mochon roh).

The results of the bond estimation method of HENRYWIN v3.20 of EPI Suite v4.11 are shown in the Table below. These estimates refer to the uncharged molecule. The substances are within the applicability domain of the model.

 

4-methoxycyclohexanone (CAS 13482-23-0)

4-Methoxycyclohexan-1-ol (CAS 18068-06-9)

Mequinol (CAS 150-76-5)

HENRYWIN v3.20 (EPI Suite v4.11) (Pa m3/mol)

0.606

5.81E-8

0.00336

 

It can be concluded that based on the read-across approach, Mochon roh (EC 947-389-1) will not evaporate from the water surface into the atmosphere.