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EC number: 257-077-0
CAS number: 51240-95-0
Toxicokinetics for 1,1,3,3-tetramethylbutyl peroxyneodecanoate (CAS#
In order to
fulfill the requirements for submission of a REACH dossier according to
Annex IX of REACH Regulation (EC) No.1907/2006 (for substances >100
tones/year) and in
absence of data on the toxicokinetics and dermal absorption, an
assessment of toxicological behaviour is required.No
studies are available on the toxicokinetics, metabolism and distribution
of 1,1,3,3-tetramethylbutyl peroxyneodecanoate.
peroxyneodecanoate is unstable with a hydrolysis half lifeless
than 24 hours at 15°C (OECD111).The
pure peroxide is not commercially available and always used in closed
systems. Due to
its instability, a phlegmatizer is added. Therefore
the commercial product is always a mixture of peroxide and phlegmatizer.
breakdown products were identified (Datta, 2012). The breakdown products
were not quantified. 1,1,3,3-tetramethylbutyl peroxyneodecanoate is
converted to TMBH hydroperoxide (CAS#5809-08-5)
which is broken down to neopentyl alcohol (CAS#75-84-3).Other
breakdown products are 2,2,4-trimethylpentanol-2 (CAS# 123-44-4) and
acetone (CAS# 67-64-1).
some physical chemical properties of 1,1,3,3-tetramethylbutyl
peroxyneodecanoate and a common phlegmatizer, isododecane (CAS#
Insoluble (Supplier SDS); 4.86 ug/L (Disseminated Dossier); 43.57 ug/L (EPIWEB)
>6.5 (6.9 extrapolated)
6.96 (QSAR cal from disseminated dossier); 6.01 (EPIWEB)
0.0001 -0.01Pa 25°C(calculated)
180 Pa (measured)
<0.24 Pa at 25°C(measured)
Cannot assess the irritation potential of the peroxide alone due to stability issues.
Repeated exposure can defat skin and lead to irritation (supplier SDS)
Irritant Cat 2
All measurements are based on experimental work with a
phlegmatizer/peroxide mixture and/or calculation. The pure peroxide is
highly unstable and will completely decompose. 1,1,3,3-Tetramethyl-
butyl peroxyneodecanoates 70% in isododecane is classified as a peroxidetype
Flammability is an intrinsic hazard in this class.
Self-Accelerating Decomposition Temperature (SADT) of the substances is
15°C (reference SADT: CLP regulations 184.108.40.206 and UN Recommendations on
the Transport of Dangerous Goods, Manual of Tests and Criteria, 5th
revised edition, sub-sections 28.1, 28.2, 28.3 and Table 28.3.)
available physico-chemical and toxicological information of the
substance has been evaluated and used to assess the toxicological
behaviour. The results of this analysis will address the question on how
the chemical will react in the body.
The ECHA “Guidance
on information requirements and chemical safety assessment Chapter R.7c:
Endpoint specific guidance May 2008” document provides
guidance, which physico-chemical properties commonly determine oral,
inhalatory and dermal absorption, distribution, metabolism and
elimination of substances(Link:http://echa.europa.eu/documents/10162/13632/information_requirements_r7c_en.pdf)
Based on the
log Pow of 6.9, the peroxide is expected to stay partitioned in the
on the log Pow of 6.96, vapor pressure and water solubility, the
phlegmatizer is not expected to penetrate the skin to a significant
degree. Therefore, the peroxide would not be expected to be
significantly absorbed either. The substance is mildly irritating to
skin and increased absorption due to damaged skin is therefore not very
however, the peroxide would quickly undergo thermal decomposition at
body temperature to multiple breakdown products.
vapor pressure of the peroxide isododecane mixture was<0.24
Pa at 25°Cand
of the peroxide 0.0001 -0.01Pa°C. Based
on the low vapor pressure and pattern of use, inhalation is not expected
to be a major route of exposure. If inhalation of the peroxide does
occur, as stated above it will rapidly decompose to multiple breakdown
oral gavage study, of the peroxide (70%) in phlegmatizer, in rats,
resulted in effects on the kidneys of males (alpha 2μglobulin), livers
of males and females (increase liver weights, diffuse hepatocellular
hypertrophy) and thyroid follicular hypertrophy and minimally-slightly
increased extramedullary hemopoiesis at 30 mg/kg/day. The liver effects
were considered adaptive and the alpha 2μglobulin is specific to the
male rat. The effects on the thyroid are a secondary effect due to
increased metabolism of T3/T4 and the observations in the spleen are
caused by an increased demand.
In a 90-day
oral gavage study reported in the REACH disseminated dossier, the
phlegmatizer was administered to rats at 500, 2500 and 5000 mg/kg/day. The
same liver effects were reported at 2500 and 5000 mg/kg/day. The
same kidney effects were reported in all dose groups.
While it is
not possible to establish the causative agent of the effects noted in
the 28-day study with the product, (i.e. the solvent or peroxide), the
peroxide is expected to quickly decompose at body temperature to
multiple breakdown products.
toxicokinetic data is not available on 1,1,3,3-tetramethylbutyl
peroxyneodecanoate, if absorbed, it is expected to be rapidly converted
to multiple breakdown products. 1,1,3,3-tetramethylbutyl
peroxyneodecanoate is not expected to bioaccumulate.
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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