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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
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
Justification for type of information:
See attached QPRF and QMRF documents.

Data source

Referenceopen allclose all

Reference Type:
other: computer model
Title:
ECOSAR v1.11
Author:
US Environmental Protection Agency's Office of Chemical Safety and Pollution Prevention
Year:
2017
Bibliographic source:
https://www.epa.gov/tsca-screening-tools/ecological-structure-activity-relationships-ecosar-predictive-model
Reference Type:
other: Estimation software
Title:
Estimation Programs Interface Suite for Microsoft Windows, v4.11
Author:
US EPA
Year:
2012
Bibliographic source:
United States Environmental Protection Agency, Washington DC, USA; November 2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
May 2008
Principles of method if other than guideline:
QSAR prediction using ECOSAR v1.11.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
N-(tri(hydroxymethyl)methyl)glycine
EC Number:
227-193-6
EC Name:
N-(tri(hydroxymethyl)methyl)glycine
Cas Number:
5704-04-1
Molecular formula:
C6H13NO5
IUPAC Name:
2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}acetic acid
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
SMILES : O=C(O)CNC(CO)(CO)CO

Sampling and analysis

Analytical monitoring:
no

Test organisms

Test organisms (species):
Daphnia sp.

Study design

Test type:
other: QSAR calculation
Total exposure duration:
48 h

Results and discussion

Effect concentrationsopen allclose all
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
36 633.65 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR
Remarks:
aliphatic amines group
Basis for effect:
other: predicted
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
ca. 1 250 000 mg/L
Nominal / measured:
estimated
Conc. based on:
other: QSAR
Remarks:
Neutral Organic SAR (Baseline Toxicity)
Basis for effect:
other: predicted
Remarks on result:
other: Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
Details on results:
see QPRF/QMRF

Applicant's summary and conclusion

Conclusions:
ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 36633.65 mg/L for (Aliphatic Amines-acid).
ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 1.25e+006 mg/L (Neutral Organic SAR (Baseline Toxicity)), however, the substance may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
Executive summary:

ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 36633.65 mg/L for (Aliphatic Amines-acid).

ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 1.25e+006 mg/L (Neutral Organic SAR (Baseline Toxicity)), however, the substance may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.