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EC number: 201-302-7
CAS number: 80-70-6
accumulation of 1,1,3,3 -Tetramethylguanidine (CAS 80 -70 -6) in
organisms is not to be expected.
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. 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.
the assessment of 1,1,3,3-Tetramethylguanidine (CAS 80-70-6) (Q)SAR
results were used for aquatic bioaccumulation. 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.
and for reasons of animal welfare, further experimental studies on
aquatic bioaccumulation are not provided.
accordance with column 2 of REACH Annex IX the study does not need to
be conducted since the substance has a log Kow less or equal than 3.
The substance has a log Kow of -0.49 (measured, Lonza, rep.no.:
698-107-1136, 2015). In
order to assess the bioaccumulation
potential of the test substance, the BCF was calculated with several
estimation models. The table below lists the applied (Q)SAR models,
the estimated BCF values and basic information on the applicability
domain (AD) for the compound. Detailed information on the model’s
results and the AD are given in the endpoint study records of IUCLID
Chapter 5.3.1. The selected models comply with the OECD principles for
Summary of relevant information
on aquatic bioaccumulation: Predicted BCF values for applied QSAR
models sorted by BCF:
(AD = Applicability Domain)
US EPA T.E.S.T. v4.2.1: Bioaccumulation: Consensus method
Based on the mean absolute errors of the models compared to the training set data, the confidence in the predicted results is low.
BCF KNN/Read-Across v1.1.0 (VEGA v1.1.3)
Only moderately similar compounds with known experimental value
in the training set have been found
BCFBAF v3.01 (EPI Suite v4.11):Arnot-GobasBCF, upper trophic, incl. biotransformation
The substance appreciably ionizes at physiologically relevant pH
BCFBAF v3.01 (EPI Suite v4.11):Arnot-GobasBCF, upper trophic, incl. biotransformation of zero
CAESAR v2.1.14 (VEGA v1.1.3)
- No similar compounds with known experiental value in the training
set have been found
- Some atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments (2 in frequent fragments found).
- The model detected one structural allert (tertiary amine SR05 group).This group has been found to be present in a large
number of nonbioaccumulative compounds (28), even when the log Kow value was higher than 3.
Meylan v1.0.3 (VEGA v1.1.3)
- No similar compounds with known experimental value in the training set have been found
- A prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare
fragments (1 unknown fragments and 1 infrequent fragments found)
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. (1997/1999)
all models applied 1,1,3,3-Tetramethylguanidine (CAS 80-70-6), the
estimated BCF values range from 0.66 to 3.16 L/kg.
US EPA T.E.S.T. calculation model was in the AD, but, based
on the mean absolute errors of the models compared to the training set
data, the confidence in the predicted results is low. The estimation
of BCFBAF v3.01 model according Meylan et al. was also within the AD
of the molecule.
on the available information on the log Kow
-0.49; measured; Lonza Ltd, 2015, see IUCLID Ch. 4.7)
and supported by a weight-of-evidence approach from calculated data it
concluded that significant accumulation of 1,1,3,3
-Tetramethylguanidine (CAS 80 -70 -6) in organisms is not to be expected.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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