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EC number: 253-523-3 | CAS number: 37482-11-4
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
HLC <100: The substance will not evaporate into the atmosphere from the water surface.
For the substance the Henry's Law Constant was calculated to be 0.0129 Pa·m3/mole at 25°C based on the bond method of HENRYWIN (v3.20). At 12 °C the Henry's Law Constant can be recalculated at 0.00618 Pa·m³/mol.
Key value for chemical safety assessment
Additional information
No experimental data on the henry's Law constant is available for sodium 2 -mercaptoethanolate. The 2-mercapthoethanolate ion is a conjugated base, 2-mercaptoethanol (CAS 60-24-2) its undissociated acid. With a pKa value of ca. 9.5 for both substances, in an aqueous environment with pH 7, they will be present almost exclusively as 2-mercaptoethanol. Therefore, consideration of the volatility behaviour of 2 -mercaptoethanol (by read-across) is considered most relevant for environmental assessment.
No experimental data on the Henry's Law constant (HLC) of 2-mercaptoethanol is available. Therefore the HLC was estimated with the bond method of the HENRYWIN (v3.20) module of EPISuite (v4.11). For the read-across substance and the target substance the bond contributions are near identical, the only difference being that the contribution of the oxygen-to-hydrogen bond of the read-across substance is 0.0018 higher than the contribution of the oxygen-to-sodium bond of the target substance. Based on the total bond contributions the HLC is estimated to be 1.29E-02 Pa·m3/mole for both substances.
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 the substance (Q)SAR results were used for 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.
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