IJT - CIR - February 2024 - 97S

Fiume et al.
97S
Table 1. Definitions, Structures, and Reported Cosmetic Functions.
Ingredient (CAS No.)
Tridecyl Trimellitate
(94109-09-8)
Tricaprylyl/Capryl
Trimellitate (90218-76-1)
Triethylhexyl Trimellitate
(3319-31-1)
Triisodecyl Trimellitate
(36631-30-8)
Triisotridecyl Trimellitate
(72361-35-4)
Definition1, CIR staff
Cosmetic Function(s)1
The triester of tridecyl alcohol and trimellitic acid; it conforms to the
formula in Figure 2, wherein R is a 10- carbon alkyl chain
The triester of a mixture of caprylyl and capryl alcohols with
trimellitic acid; it conforms generally to the formula in Figure 2,
wherein R is an 8- or 10- carbon alkyl chain
The triester of 2-ethylhexanol and trimellitic acid; it conforms to the
formula in Figure 2, wherein R is the 2-ethylhexyl group
The triester of isodecyl alcohol and trimellitic acid; it conforms
generally to the formula in Figure 2, wherein R is a branched, 10carbon
alkyl chain
The organic compound that conforms to the formula in Figure 2,
wherein R is a branched, 13- carbon alkyl chain
(NICNAS) public report oftridecyl trimellitate, triethylhexyl
trimellitate should be considered as an acceptable analogue
for read-across based on structure and properties.9 Triethylhexyl
trimellitate is structurally similar to tridecyl trimellitate,
with the exception of the alkyl chains. The alkyl
chains of triethylhexyl trimellitate are relatively short and
branched, whereas those of tridecyl trimellitate are longer
and linear. Because of this similarity, the data on triethylhexyl
can be extrapolated to address the safety oftridecyl
trimellitate, as well as all ofthe trialkyl trimellitates included
in this report.
Many of the data included in this safety assessment are
from dossiers available from the European Chemicals
Agency (ECHA),10 the Environmental Protection Agency
(EPA) High Production Volume (HPV) challenge testing
system,11 the Organisation for Economic Development
(OECD),12 and from National Industrial Chemicals Notification
and Assessment Scheme (NICNAS).9 These sources
provide summaries of information generated by industry,
and it is those summary data that are included in this safety
assessment when information from the mentioned sources is
referenced. Also, because the same studies are often repeated
in the dossiers available from each of these organizations,
only one sourceisbeing citedwhendescribingastudy
(although the same information may be found in several of
the dossiers). Several of the original reports summarized in
these dossiers were available through the National Technical
Information Service,13 and those were obtained when
available.
Chemistry
Definition and Structure
The ingredients in this safety assessment are each a triester of
trimellitic acid (i.e., 1,2,4-benzenetricarboxylic acid with alkyl
side chain ester groups; Figure 1, Figure 2).
The definition and structure of each ingredient is provided
in Table 1.
Skin conditioning agent - occlusive
Plasticizer; skin conditioning agent -
emollient
Plasticizer; skin conditioning agent -
emollient
Skin conditioning agent - emollient; skin
conditioning agent - miscellaneous
Skin conditioning agent - miscellaneous
Physical and Chemical Properties
Trialkyl trimellitates are colorless to slightly yellow liquids,
with molecular weights ranging from approximately 545 to
760 Da, and with low volatility (Table 3). Although they are
generally insoluble or only slightly soluble in water, these ingredients
are readily soluble in most organic solvents and oils.14
Method of Manufacture
The trialkyl trimellitates can be synthesized under traditional
esterification conditions from trimellitic acid, the acid chloride,
or the anhydride15 with the corresponding alcohol (e.g.,
trimellitic anhydride with 2-ethylhexanol to synthesize triethylhexyl
trimellitate).16 Most commonly, these trialkyl trimellitates
are manufactured by reacting the appropriate
alcohol with trimellitic anhydride.14,17
There is also literature on the regioselective synthesis of
these types of chemicals by the transition metal-catalyzed,
cotrimerization of acetylynic compounds via a [2+2+2] cyclization
(e.g., the trimerization ofisopropyl 2-propynoate can
be selectively directed to the production of " triisopropyl trimellitate "
(not an ingredient)). However, there were no
published examples of this method for the ingredients included
in this safety assessment.
Impurities/Constituents
Tridecyl Trimellitate. From one source, tridecyl trimellitate is
reportedly 99.97% pure and contains <.03% isodecanol
and <.03% tridecanol.9
Triethylhexyl Trimellitate. Triethylhexyl trimellitate from one
source was reportedly >99.9% pure,18 and another supplier
indicates that industrial triethylhexyl trimellitate is
available with .1% by weight 1,1,3-tris(2-methyl-4-hydroxy-5-t-butylphenyl)
butane.19 In a study that used 97.1%
pure triethylhexyl trimellitate, the major impurity was

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