2-(hydroxymethylamino)ethanol

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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 limited documentation / justification

Justification for type of information:

The supporting QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

Prediction is done using OECD QSAR Toolbox version 3.3 with logKow as the primary descriptor.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): 2-(hydroxymethylamino)ethanol
- Molecular formula (if other than submission substance): C3H9NO2
- Molecular weight (if other than submission substance): 91.1091 g/mol
- Smiles notation (if other than submission substance): CN(CCO)O
- InChl (if other than submission substance): 1S/C3H9NO2/c1-4(6)2-3-5/h5-6H,2-3H2,1H3
- Substance type: Organic
- Physical state: Liquid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)

Test type:

static

Water media type:

freshwater

Total exposure duration:

72 h

Test temperature:

20 °C

pH:

8.4 - 10.1

Key result

Duration:

72 h

Dose descriptor:

EC50

Effect conc.:

385.589 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

growth rate

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 7 nearest neighbours
Domain  logical expression:Result: In Domain

((((((("a" or "b" or "c" or "d" )  and "e" )  and ("f" and ( not "g") )  )  and "h" )  and "i" )  and "j" )  and ("k" and "l" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Alcohol OR N-Hydroxylamine derivatives by Organic Functional groups ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alcohol OR N-Hydroxylamine derivatives OR Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Amino, aliphatic attach [-N<] OR Hydroxy, aliphatic attach [-OH] OR Hydroxy, nitrogen attach [-OH] OR Oxygen, nitrogen attach [-O-] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Alcohol OR Hydroxy compound OR Hydroxylamine OR Primary alcohol by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD ONLY

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non binder, non cyclic structure by Estrogen Receptor Binding

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group OR Weak binder, OH group by Estrogen Receptor Binding

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives ONLY

Domain logical expression index: "i"

Similarity boundary:Target: CN(O)CCO
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "j"

Similarity boundary:Target: CN(O)CCO
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.86

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.945

Validity criteria fulfilled:

not specified

Conclusions:

The median Effective concentration (EC50) value for 2-[hydroxy(methyl)amino]ethanol on Desmodesmus subspicatus in a 72 hour study was estimated to be 385.6 mg/L on the basis of effects on growth rate.

Executive summary:

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 2-[hydroxy(methyl)amino]ethanol (CAS no. 34375 -28 -5). EC50 value was estimated to be 385.6 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance 2-[hydroxy(methyl)amino]ethanol is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

 

Description of key information

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 2-[hydroxy(methyl)amino]ethanol (CAS no. 34375 -28 -5). EC50 value was estimated to be 385.6 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance 2-[hydroxy(methyl)amino]ethanol is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Key value for chemical safety assessment

EC50 for freshwater algae:

385.6 mg/L

Additional information

Various predicted data for the target chemical 2-[hydroxy(methyl)amino]ethanol(CAS No. 34375-28-5) and weight of evidence study for its read across substancewere reviewed to summarize the following information:

 

Short term toxicity on aquatic algae and cyanobacteria of target chemical2-[hydroxy(methyl)amino]ethanol(CAS No. 34375-28-5) is predicted using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances (2017). EC50 value was estimated to be 385.6 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance 2-[hydroxy(methyl)amino]ethanol is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

 

In another prediction done using the EPI Suite ECOSAR version 1.10 (EPI Suite, 2017), the short term toxicity on green algae was predicted for test substance2-[hydroxy(methyl)amino]ethanol(CAS No. 34375-28-5).On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 25761.029 mg/l for green algae for 96 h duration. Based on this value, it can be concluded that the test chemical 2-[hydroxy (methyl)amino]ethanol can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classifiedas per the CLP classification criteria.

 

In a weight of evidencestudy from secondary source (OECD SIDS, 2006) of the read across chemical C.I. Pigment Black 7 (CAS no. 1333 -86 -4),short term toxicity to Selenastrum capricornutum (Green algae) study was carried out for 24 hrs. The study was performed according to ISO 8692 (Water Quality - Fresh Water Algal Growth Inhibition Test with Scenedesmus subspicatus and Selenastrum capricornutum) and NF EN 28692 Guideline. The study was based on the effects of the read across compound C.I. Pigment Black 7 on Selenastrum capricornutum (green algae) in a static fresh water system. Selenastrum capricornutum was used as a test organism. After 72 hours of exposure to C.I. Pigment Black 7, the 72 hr EC50 value was determined to be > 13,000 mg/l. Thus, based on the EC50 value, it can be concluded that the substance C.I. Pigment Black 7 can be considered as non-toxic to Selenastrum capricornutum at environmentally relevant concentrations and can be considered to be not-classified as per the CLP classification criteria.

 

For the same read across chemical C.I. Pigment Black 7 (CAS no. 1333 -86 -4), short term toxicity to Scenedesmus subspicatus (Green algae) study was carried out for 72 hrs. The study was performed according to OECD Guide-line 201 "Algae, Growth Inhibition Test". The study was based on the effects of the read across compound C.I. Pigment Black 7 (CAS no. 1333 -86 -4) on Scenedesmus subspicatus (green algae) in a static fresh water system at a temperature range of 21.4 – 24.4°C, pH 8.15 and light intensity of greater than 120 µE/m2s, respectively. Scenedesmus subspicatus (at an initial cell density of 8 × 104cells/ml) was used as a test organism. The algal stock culture was cultivated under strictly aseptic conditions within Institut Fresenius. Test chemical suspensions was prepared in ultrapure water at 6250, 630, and 63 mg per 500 ml batch. After 24 hours incubation at room temperature on a shaking machine, during which time equilibration was considered to be achieved, the suspensions were filtered through a filter paper, which had previously been thoroughly rinsed with ultrapure water. These filtered solutions were then passed through sterile membrane filters to ensure sterile conditions for the test. Test chemical concentration used for the study was 100.8, 1,008 and 10,000 mg/l, respectively (nominal concentrations). Mineral nutrient medium containing Fe complex and additional trace elements was prepared in ultrapure water. Solid sodium hydrogen carbonate was added, to give twice the concentration indicated in the OECD guideline. This solution, at pH 8.15 after equilibration with air, was sterilized by ultrafiltration through a 0.45µ membrane filter before the test. The incubation of the test and control solutions was carried out for 72 hrs. The solutions were stirred for 15 minutes in every hour with a magnetic stirrer, to ensure adequate CO2 input. The test solutions were covered with a Plexiglas lid, to maintain sterile conditions. Based on the effect on the growth rate of the test organism Scenedesmus subspicatus, the 72 hr NOEC, EC10 and EC50 value was determined to be > 10,000 mg/l. Thus, based on the EC50 value, it can be concluded that the substance C.I. Pigment Black 7can be considered as non-toxic to Scenedesmus subspicatus at environmentally relevant concentrations and can be considered to be not-classified as per the CLP classification criteria.

 

Thus, based on the overall reported results for target chemical 2 -[hydroxy(methyl)amino]ethanol (OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from secondary source OECD SIDS), it can be concluded that the test substance 2 -[hydroxy(methyl)amino]ethanol can be considered as non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.