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EC number: 947-964-7
CAS number: -
are no experimental data available on toxicokinetic behavior of the test
item. Therefore, the following considerations are based on physico
chemical properties of the test item as well as on results of in vivo
and in vitro toxicity studies available.
test item is a colorless liquid at ambient conditions with a melting
point <-30 °C and a boiling point of 163 °C. The substance is an UVCB
consisting of different isomers with the same molecular formula.
Therefore, molecular weight of every constituent is always 138.25 g/mol.
pressure of the test item was determined to be quite high with 2.14 hPa
at 20°C and the test item is considered to be volatile. The test item is
only poorly soluble in water based on QSAR calculations (WS = ca. 1.67
mg/L) and there are no indications that it undergoes hydrolysis in
contact with water. The octanol/water partition coefficient of the test
item was calculated to be 4.44.
of toxicological profile
An acute oral toxicity study was carried out using the class method
according to OECD guideline 423, applying 2000 mg/kg bw/d. No mortality
and no test item related adverse effects regarding body weight
development or clinical observations were revealed. Therefore, the test
item is not classified according to the GHS classification and the
median lethal dose derived was: LD50 cut off ≥ 5000 mg/kg bw according
to the guideline.
vitro tests systems for skin and eye irritation revealed that the test
item is irritating to the skin but not to the eye. Moreover, the test
item is also considered to be a skin sensitizer based on in vitro test
test item was assessed for its repeated dose toxicity in combined
Repeated Dose Toxicity Study with the Reproduction/Developmental
Toxicity Screening Test (OECD 422). No adverse effects were observed up
to the highest dose tested i. e. 800 mg/kg bw/d. In male rats
hyaline-like droplets were observed by histopathological examination.
Further assessment confirmed alpha-u2-globulin positive. Thus, the
agglomerates are a sex and species related finding and are not
indicative for effects of human relevance.
The test item was
shown to be not mutagenic or clastogenic in bacterial as well as in
mammalian cell systems.
Generally, oral absorption is favoured for molecular weights below 500
g/mol. The low water solubility of ca. 1.67 mg/L will probably not allow
ready dissolution of the test item in the gastrointestinal fluids. Thus,
a direct uptake into the systemic circulation through aqueous pores or
via carriage with the bulk passage of water is considered as less
relevant. The logPow value of 4.44 is also already above the range of -1
to 4 which is usually considered to be favored for absorption by passive
diffusion through biological membranes. With a logPow of greater than 4,
the test item may be taken up by micellular solubilisation. Moreover,
hydrolysis of the test item in the GIT is not expected based on QSAR
calculation the hydrolytic half-life is greater than a year. Overall,
physicochemical properties of the test item indicate that it might not
be readily absorbed via the oral route. This is supported by oral acute
as well as repeated dose toxicity data, where no or only minor signs of
toxicity were observed after administration up to the limit dose (2000
mg/kg bw and 1000 mg/kg bw/d, respectively).
Due to its volatile
properties availability of the test item via the inhalation route cannot
be completely ruled out. Since the substance is a liquid at ambient
temperature the generation of dust is excluded. However, in case of
inhalation, absorption via the respiratory tract cannot be ruled out due
to the relatively high vapor pressure.
absorption is considered limited since the logPow value is above 4 and
thus considered to limit transfer between stratum corneum and the
epidermis. However, uptake into the stratum corneum will probably be
high. Another parameter that affects transport of a substance from the
stratum corneum into the epidermis is the water solubility of a
substance. Below 1 mg/L dermal uptake is considered to be low.
However, based on in vitro test battery results the test item was shown
to have a skin sensation potential. Moreover, the substance is
classified as skin irritant and thus absorption may be facilitated due
to the damage of the upper skin layers.
properties of the test item as well as toxicity data indicate a rather
low systemic bioavailability following oral, inhalative and dermal
after being absorbed into the body, the test item is likely distributed
into cells and intracellular concentrations may be higher than
extracellular concentrations due to rather lipophilic properties (log
Pow 4.44). This applies especially for fatty tissues. However,
the test item is unlikely to have a bio-accumulative potential, even
though it might be considered as lipophilic (logPow is greater than 4).The
subacute repeated dose toxicity study in rats did not reveal any signs
of target organ toxicity or other indications for an accumulation in any
organ or tissue, there is also no other evidence for an accumulative
property of this compound. Moreover, its metabolic transformation to
more hydrophilic compounds is anticipated as described below.
can be assumed that P450-enzymes are substantially involved in the
metabolism of the test item, based on findings in the bacterial reverse
mutation assay (Ames) as well as in the mammalian cell gene mutation
assay (HPRT). In both assays cytotoxicity was observed in the absence of
the metabolizing system (S9). In the presence of S9, however, the same
substance concentration did not induce cytotoxicity anymore. Thus, a
detoxification by metabolism of phase I enzymes could be anticipated.
This metabolism usually aims to enhance hydrophilicity of the substance,
for example by hydroxylation reactions, in order to facilitate excretion
of the xenobiotic. This supports the assumption that the test item is
not considered of concern in regards to bioaccumulation.
discussed above, the test item is probably substrate to phase I
metabolizing enzymes and its hydrophilicity will likely be increased by
this process. Taking into account its low molecular weight it can be
assumed that the test item is rather excreted via the kidneys and the
urine than via feces after it has been metabolised.
Based on physicochemical characteristics,
particularly molecular weight and octanol-water partition coefficient,
absorption by the dermal, oral and inhalation route is expected to be
low. This assumption is further supported by the results of the oral
acute toxicity study as well as the subacute repeated dose study. There
are no indications that the test item or its metabolites could have a
bioaccumulating potential. Metabolic transformation by phase I enzymes
is expected and excretion via urine can be anticipated.
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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