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EC number: 905-357-4
CAS number: -
O2 uptake (mg/L, adjusted to nominal concentrations):
O2 uptake of sludge (inoculum blank)
O2 uptake of Test Subst. + sludge
O2 uptake of Test Substance
% biodegradation of test substance
B1, B2, C1, C2, A1, A2, E1: Experimental O2 uptake values
B = (B1+B2) / 2
D1 = 100 * (C1-B) / ThOD * [S]
D2 = 100 * (C2 – B) / ThOD * [S]
D = (D1 + D2) / 2
[S]: initial test substance concentration (mg/L)
For Geranyl Isobutyrate ('mono'), the ready biodegradability was
determined in a study according to OECD TG 301F (Manometric Respirometry
Test) and in compliance with GLP criteria. In this study 30 mg/L test
substance (65.1 mg/L based on ThOD) was inoculated with fresh activated
sludge from a biological waste water treatment plant treating
predominantly domestic sewage for 28 days. After 28 days, 67%
biodegradation was observed which further increased to 74% after 48
days. The validity criteria of the study are met. The substance can be
regarded as readily biodegradable, because this 'mono' is actually a
Isobutyrate MCS is readily biodegradable based on Geranyl Isobutyrate
'mono' which was tested in an OECD TG 301F.
in water is assessed based on read-across from Geranyl
Isobutyrate 'mono' to Geranyl Isobutyrate MCS. The
executive summary of the source information is presented below, followed
by the read-across rationale.
Geranyl Isobutyrate 'mono' and its ready biodegradability
Biodegradation of Geranyl Isobutyrate MCS based on read
across from data available for Geranyl Isobutyrate ‘mono’ (CAS#
Introduction and hypothesis for the analogue approach
Geranyl Isobutyrate MCS is a multi-constituent substance for
which 98.4% of the constituents are identified. The substance contains
4 constituents, all of which are Isobutyrate esters of a
3,7-dimethyloctanol chain containing no, 1 or 2 non-conjugated double
bonds. About 70% of the known composition consists of 2 isomers of
Geranyl Isobutyrate ‘mono’ with 2 non-conjugated double bonds, about
25% is Citronellyl Isobutyrate with 1 double bond, and a remaining <5%
consists of another Citronellyl-like component with no double bond.
For Geranyl Isobutyrate MCS there are no experimental
biodegradation data available.In
accordance with Article 13 of REACH, lacking information can be
generated whenever possible by means other than experimental testing,
i.e. applying alternative methods such as in vitro tests, QSARs,
grouping and read-across.For assessing the biodegradation
of Geranyl Isobutyrate MCS, the analogue approach is selected because
for the Geranyl Isobutyrate ‘mono’ experimental biodegradation
information is available which can be used for read across.
Hypothesis: The ready biodegradability of
Geranyl Isobutyrate ‘mono’ is considered to be representative for all
constituents of Geranyl Isobutyrate MCS on the basis of their very
close structural analogy. If Geranyl Isobutyrate ‘mono’ is readily
biodegradable, Geranyl Isobutyrate MCS is readily biodegradable.
Available information: No experimental data
on the biodegradation potential of Geranyl Isobutyrate MCS is
available. Read-across is performed to Geranyl Isobutyrate ‘mono’. For
Geranyl Isobutyrate ‘mono’ a ready biodegradation study was performed
according to OECD TG 301F (Manometric Respirometry test) and in
compliance with GLP. In this study, 30 mg/L test substance was
inoculated with fresh activated sludge form a biological waste water
treatment plant treating predominantly domestic waste. Under the
conditions of the test, 67% of Geranyl Isobutyrate ‘mono’ was
biodegraded after 28 days. The 10-day window criterion was not met
which is attributable to the tested substance consisting of 3 isomers.
The 10-d window is therefore not used as a pass fail criterion for
ready biodegradation. Geranyl Isobutyrate ‘mono’ is qualified as
Target chemical and source chemical(s)
Chemical structures of the target chemical and the source
chemical are shown in the data matrix, including physico-chemical
properties and available environmental fate information. Furthermore,
a full list of constituents of Geranyl Isobutyrate MCS, including
information relevant for read-across, is given in Appendix 1.
Purity / Impurities
Neither Geranyl Isobutyrate MCS nor Geranyl Isobutyrate ‘mono’
contain any impurities that are considered to impact the assessment of
biodegradation from read across.
Analogue approach justification
According to Annex XI 1.5 read across can be used to replace
testing when the similarity can be based on a common backbone and a
common functional group. Geranyl Isobutyrate ‘mono’ was selected as an
analogue for read-across because it shares the same backbone and the
same functional group of all constituents of Geranyl Isobutyrate MCS.
Moreover, Geranyl Isobutyrate MCS consists for ca. 71% of two isomers
of Geranyl Isobutyrate ‘mono’.
Structural similarities and differences: All
constituents are Isobutyrate esters of a 3,7-dimethyloctanol chain.
The only difference is the number of non-conjugated double bonds in
the chain. In Table 1, the structural fragments with which the
biodegradation can be predicted are presented, showing the similarity
between the main constituents.
Bioavailability: In view of the limited
structural differences also the bioavailability based on
physico-chemical properties such as water solubility and log Kow
(around 5.5) is very similar .
Uncertainty of the prediction: To further
support the analogy between the two constituents,BIOWIN(v4.10)
predictions are made for the two main constituents of Geranyl
Isobutyrate MCS, Geranyl Isobutyrate ‘mono’ and Citronellyl
Isobutyrate.Only BIOWIN modules 5 (‘MITI-linear’) and 6
(‘MITI-non-linear’) are used because these two models are based on
ready biodegradability tests, which is the endpoint to be predicted.
The identified biodegradation fragments are identical in both
substances but vary slightly in their number present in each
structure. As Geranyl Isobutyrate ‘mono’ has been shown experimentally
to be readily biodegradable the other constituent Citronellyl
Isobutyrate will be readily biodegradable.
Table 1: Summary of BIOWIN predicted data for the main
constituents Geranyl Isobutyrate ‘mono’ and Citronellyl Isobutyrate,
the latter being a constituent of the first one.
-C=CH [alkenyl hydrogen]
With an increasing number of constituents, the ready
biodegradability window within the log phase of biodegradation may
also increase. Therefore the 10-d window criterionis not applied as a
pass fail criterion for multi-constituents. The 60% degradation
criterion is passed and the substance can be regarded ready
biodegradable. There are no uncertainties other than those already
The relevant information on physico-chemical properties and
environmental fate properties are presented in the data matrix below.
Conclusions for environmental fate
The constituents of Geranyl Isobutyrate MCS are concluded to be
readily biodegradable and therefore Geranyl Isobutyrate MCS will be
assessed as readily biodegradable as well.
Data matrix presenting the information relevant for read
across to Geranyl Isobutyrate MCS from Geranyl Isobutyrate ‘mono’
Geranyl Isobutyrate MCS
Geranyl Isobutyrate ‘mono’
For a full list of constituents, see Appendix 1.
Based on read-across:
Appendix 1:Overview of data available for the different
constituents ofGeranyl Isobutyrate MCS.
Minor Citronellyl-like constituent
% in product
0. 6 (est.)
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