Methylamine

Long-term toxicity to fish

Administrative data

Endpoint:

long-term toxicity to fish

Type of information:

(Q)SAR

Adequacy of study:

other information

Study period:

2017-12-15

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

Due to the fact that the training set for the underlying QSAR equation only comprises three substances, this prediction is not considered to be very reliable.

Justification for type of information:

1. SOFTWARE
Estimation Programs Interface (EPI) Suite for Microsoft Windows, v4.11 (US EPA, 2012)

2. MODEL (incl. version number)
ECOSAR v1.11

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN, see also section 'Test Material'

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- See attached QPRF for reliability assessment

Data source

Reference

Reference Type:

other: QSAR model

Title:

US EPA . Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 . United States Environmental Protection Agency, Washington, DC, USA ; ECOSAR™ Version 1.11 [2012]

Author:

U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460

Year:

2012

Bibliographic source:

http://www.epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline

Guideline:

other: ECHA Guidance R.6

Principles of method if other than guideline:

- Software tool(s) used including version: EPIWIN v4.11
- Model(s) used: Ecosar v1.11
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'

Test material

Test material information

Constituent 1

Reference substance name:

Methylamine

EC Number:

200-820-0

EC Name:

Methylamine

Cas Number:

74-89-5

Molecular formula:

CH5N

IUPAC Name:

methanamine

Test organisms

Test organisms (species):

other: Actinopterygii (ray-finned fishes,spiny rayed fishes)

Study design

Total exposure duration:

30 d

Post exposure observation period:

no data

Test conditions

Hardness:

no data

Test temperature:

no data

pH:

no data

Dissolved oxygen:

no data

Salinity:

no data

Nominal and measured concentrations:

no data

Details on test conditions:

no data

Reference substance (positive control):

not required

Results and discussion

Effect concentrations

Duration:

30 d

Dose descriptor:

other: Chronic Value (ChV)

Effect conc.:

48 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

ChV (chronic value, QSAR)

Details on results:

Result is an estimation by Ecosar v1.11using an extensive set of structure-activity relationships (SARs). The substance is classified as 'Aliphatic Amine'. However, the QSAR model equation for aliphatic amines is based on only three values from the training set.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

Result is an estimation by Ecosar v1.11using an extensive set of structure-activity relationships (SARs). The substance is classified as 'Aliphatic Amine'. The chronic value (ChV) estimated for fish is 48 mg/L. However, the QSAR model equation for aliphatic amines is based on only three values from the training set. Therefore, this estimation is not considered to be very reliable.

Executive summary:

An extensive set of structure - activity relationships (SARs) are used by the computer program ECOSAR v1.11 to determine the long-term toxicity of monomethylamine for fish. As result a chronic value (ChV) of 48 mg/L, based on mortality is reported. Due to the fact that the training set for the underlying QSAR equation only comprises three substances, this prediction is not considered to be very reliable.