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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Toxicological information

Specific investigations: other studies

Currently viewing:

Administrative data

Endpoint:
endocrine system modulation
Remarks:
Binding to the human Estrogen Receptor alpha (hERalpha) in vitro
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
January 10, 2019
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 justification and cross-reference.
Cross-reference
Reason / purpose for cross-reference:
other: (Q)SAR: supporting information
Remarks:
Danish (Q)SAR Database Manual
Reference
Endpoint:
biodegradation in water: screening test, other
Remarks:
Estimated by Danish (Q)SAR database
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
November 17, 2016
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 the attached justification.
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
Principles of method if other than guideline:
See the justification for type of information.
Parameter:
other: Not ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction

Biodegradation

Exp

Battery

CASE Ultra

Leadscope

SciQSAR

Not Ready Biodegradability

(POS=Not Ready)

 

NEG_IN

NEG_IN

NEG_IN

NEG_IN

Validity criteria fulfilled:
yes
Interpretation of results:
readily biodegradable
Conclusions:
According to the result of the Battery algorithm, applied on CASE Ultra, Leadscope Predictive Data Miner and SciQSAR models, trimethyl benzene-1,2,4-tricarboxylate was found to be readily biodegradable in water.
Executive summary:

According to the result of the Battery algorithm, applied on CASE Ultra, Leadscope Predictive Data Miner and SciQSAR models, trimethyl benzene-1,2,4-tricarboxylate was found to be readily biodegradable in water.

Data source

Referenceopen allclose all

Reference Type:
other: Authoritative data base
Title:
Danish (Q)SAR Database
Author:
Danish EPA
Year:
2018
Bibliographic source:
Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk
Reference Type:
other company data
Title:
Unnamed
Year:
2019
Report date:
2019

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Version / remarks:
ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
Principles of method if other than guideline:
See the justification for type of information.
Endpoint addressed:
other: Endocrine disrupter

Test material

Constituent 1
Chemical structure
Reference substance name:
Trimethyl benzene-1,2,4-tricarboxylate
EC Number:
219-547-3
EC Name:
Trimethyl benzene-1,2,4-tricarboxylate
Cas Number:
2459-10-1
Molecular formula:
C12H12O6
IUPAC Name:
1,2,4-trimethyl benzene-1,2,4-tricarboxylate

Test animals

Species:
other: human (in vitro)

Results and discussion

Any other information on results incl. tables

 

Exp

Battery

CASE Ultra

Leadscope

SciQSAR

Estrogen Receptor α Binding, Full training set (Human in vitro)

 

NEG_IN

NEG_IN

NEG_IN

NEG_IN

Applicant's summary and conclusion

Conclusions:
According to the result of the Battery algorithm, applied on CASE Ultra, Leadscope Predictive Data Miner and SciQSAR models, the endocrine‐disrupting property of trimethyl benzene-1,2,4-tricarboxylate (TMTM), related to the 'Binding to the human Estrogen Receptor alpha (hERalpha) in vitro', was estimated as negative.
Executive summary:

According to the result of the Battery algorithm, applied on CASE Ultra, Leadscope Predictive Data Miner and SciQSAR models, the endocrine‐disrupting property of trimethyl benzene-1,2,4-tricarboxylate (TMTM), related to the 'Binding to the human Estrogen Receptor alpha (hERalpha) in vitro', was estimated as negative.