2-methylaminoethanol

Henry's Law constant

Link to relevant study record(s)

Reference

Endpoint:

Henry's law constant

Type of information:

calculation (if not (Q)SAR)

Remarks:

Estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method

Reason / purpose for cross-reference:

other: source of input parameter (calculated Henry Law Constant via EpiWin)

Principles of method if other than guideline:

pH correction of partition coefficients for ionisable substances

GLP compliance:

no

H:

ca. 0 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: at pH 4: 9.18E-11 Pa*m³/mol

H:

ca. 0 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: at pH 5: 9.18E-10 Pa*m³/mol

H:

0 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: at pH 7: 9.17E-08 Pa*m³/mol

H:

0 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: at pH 9: 8.25E-06 Pa*m³/mol

The data refer to the charged molecule.

Executive summary:

The pH corrected partition coefficients for the ionisable substance N-Methylethanolamine was calculated for pH 4 to be 9.18E-11 Pa*m³/mol, for pH 5 to be 9.18E-10 Pa*m³/mol, for pH 7 to be 9.17E-8 Pa*m³/mol and for pH 9 to be 8.25E-6 Pa*m³/mol.

Description of key information

The key value for chemical safety assessment is taken from the performed calculation with the computer tool EPIWIN (Chemservice S.A., 2010, revised 2019).

From the water suirface. the substance will not evaporate into the atmosphere.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):

0

at the temperature of:

25 °C

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 N-Methylethanolamine (CAS 109-83-1) (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 bond estimation method gives a value of 8.18E-05 Pa*m³/mol (HENRYWIN Program, v3.20; EPI Suite v4.10; BASF SE, 2013), which is representative for the uncharged molecule.

The substance ist within the applicability domain of the model.

At environmental conditions the molecule is expected to beionised;therefore, the estimate may overestimate the evaporation potential of the substance.

Furthermore, a calculation performed to yield the HLC for the pH of 4, 5, 7 and 9 for this ionisable substances gives the following results:

for pH 4 to be 9.18E-11 Pa*m³/mol,

for pH 5 to be 9.18E-10 Pa*m³/mol,

for pH 7 to be 9.17E-8 Pa*m³/mol and

for pH 9 to be 8.25E-6 Pa*m³/mol.

It can be concluded that the substance will not evaporate from the water surface into the atmosphere.