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Diss Factsheets

Administrative data

Description of key information

Skin Sensitisation

REACH_not sensitising | KeratinoSens | OECD 442D | #key study##Analogy (152261-44-4)#

REACH_not sensitising | hCLAT | OECD 442E | #key study##Analogy (152261-44-4)#

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Referenceopen allclose all

Endpoint:
skin sensitisation: in vitro
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
2018-04-09 to 2018-05-08
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Analogy to Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, RP with 3-(triethoxysilyl)-1-propanamine, CAS 152261-44-4:

Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 152261-43-3) is a complex reaction mixture (UVCB) of 3-aminopropyltriethoxysilane (CAS 919-30-2) and diethylene glycol (CAS ‎111-46-69). Diethylene glycol is the main component besides smaller amounts of ethanol (CAS 64-17-5). No free 3-aminopropyltriethoxysilane is detectable, because it is covalently bound to the oligomeric structures of the reaction product.

A comparable reaction mixture namely Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 152261-44-4) was submitted to acute toxicity testing. The tested reaction product does contain triethylene glycol instead of diethylene glycol as main component and ethanol. The data on Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine were used for evaluation of the reaction product with diethylene glycol.

Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine are unstable upon contact with moisture. The product undergoes further condensation reactions that form highly polymerized poly silicic acids while liberating the diethylene glycol, that was initially bound to the oligomeric structures. The underlying chemistry is commonly known as sol-gel reaction. The poly silicic acid moieties are not stable and prone to further condensation generating water insoluble, resinous polymers. The molecular weight of the resulting polymers is predicted to be over 1000. These polymers are stable and not bioavailable.

For the above mentioned reasons the toxicological profile of Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine will be mainly determined by the solvents, which are very well investigated.

Diethylene glycol and triethylene glycol belong to the group of ethylene glycols represented by the generic molecular structure HO(CH2CH2O)nH, where n = 2-3. Diethylene glycol and triethylene glycol are closely related in structure, both substances possess two terminal hydroxy groups and differ from each other only in the number of one oxyethylene unit. Both substances are total miscibility with water and exhibit a comparable toxicological profile as well as metabolic fate (OECD SIDS Initial Assessment Profile, ethylene glycols, 2004).

Therefore the acute data generated with Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine can be applied to adequately address acute toxicity of Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine.

Reason / purpose for cross-reference:
read-across source
Qualifier:
according to guideline
Guideline:
other: OECD Guidelines for Testing of Chemicals, No. 442E: “In vitro Skin Sensitisation: human Cell Line Activation Test (h-CLAT)” adopted 29 July 2016
Qualifier:
according to guideline
Guideline:
other: Human Cell Line Activation Test (h-CLAT) for Skin Sensitisation, DB-ALM Protocol n°158, July 1st, 2015
Key result
Run / experiment:
other: 1
Parameter:
other: relative fluorescence intensity CD86 [%]
Value:
116
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
other: Concentration: 11979.17 μg/mL
Key result
Run / experiment:
other: 1
Parameter:
other: relative fluorescence intensity CD54 [%]
Value:
122
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
other: Concentration:14375.00 μg/mL
Key result
Run / experiment:
other: 2
Parameter:
other: relative fluorescence intensity CD86 [%]
Value:
119
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
other: Concentration: 17250.00 μg/mL
Key result
Run / experiment:
other: 2
Parameter:
other: relative fluorescence intensity CD54 [%]
Value:
113
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
other: Concentration: 17250.00 μg/mL
Interpretation of results:
GHS criteria not met
Conclusions:
In this study under the given conditions the test item did not upregulate the expression of the cell surface markers in at least two independent experiment runs. Therefore the test item might be considered as non-sensitiser.
Endpoint:
skin sensitisation: in vitro
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
2018-03-27 to 2018-04-10
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Analogy to Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, RP with 3-(triethoxysilyl)-1-propanamine, CAS 152261-44-4:

Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 152261-43-3) is a complex reaction mixture (UVCB) of 3-aminopropyltriethoxysilane (CAS 919-30-2) and diethylene glycol (CAS ‎111-46-69). Diethylene glycol is the main component besides smaller amounts of ethanol (CAS 64-17-5). No free 3-aminopropyltriethoxysilane is detectable, because it is covalently bound to the oligomeric structures of the reaction product.

A comparable reaction mixture namely Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 152261-44-4) was submitted to acute toxicity testing. The tested reaction product does contain triethylene glycol instead of diethylene glycol as main component and ethanol. The data on Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine were used for evaluation of the reaction product with diethylene glycol.

Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine are unstable upon contact with moisture. The product undergoes further condensation reactions that form highly polymerized poly silicic acids while liberating the diethylene glycol, that was initially bound to the oligomeric structures. The underlying chemistry is commonly known as sol-gel reaction. The poly silicic acid moieties are not stable and prone to further condensation generating water insoluble, resinous polymers. The molecular weight of the resulting polymers is predicted to be over 1000. These polymers are stable and not bioavailable.

For the above mentioned reasons the toxicological profile of Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine will be mainly determined by the solvents, which are very well investigated.

Diethylene glycol and triethylene glycol belong to the group of ethylene glycols represented by the generic molecular structure HO(CH2CH2O)nH, where n = 2-3. Diethylene glycol and triethylene glycol are closely related in structure, both substances possess two terminal hydroxy groups and differ from each other only in the number of one oxyethylene unit. Both substances are total miscibility with water and exhibit a comparable toxicological profile as well as metabolic fate (OECD SIDS Initial Assessment Profile, ethylene glycols, 2004).

Therefore the acute data generated with Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine can be applied to adequately address acute toxicity of Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine.

Reason / purpose for cross-reference:
read-across source
Qualifier:
according to guideline
Guideline:
OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
Qualifier:
according to guideline
Guideline:
other: KeratinoSens™, EURL ECVAM DB-ALM Protocol No. 155, July 1st, 2015
Key result
Run / experiment:
other: 1
Parameter:
other: luciferase activity
Value:
1.12
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
other: Concentration: 0.98 μM
Key result
Run / experiment:
other: 1
Parameter:
other: cell viability [%]
Value:
99.4
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Key result
Run / experiment:
other: 1
Parameter:
other: EC1.5 [μM]
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
not determinable
Key result
Run / experiment:
other: 2
Parameter:
other: luciferase activity
Value:
1.1
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
other: Concentration: 250 μM
Key result
Run / experiment:
other: 2
Parameter:
other: cell viability [%]
Value:
100
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Key result
Run / experiment:
other: 2
Parameter:
other: EC1.5 [μM]
Vehicle controls validity:
valid
Negative controls validity:
valid
Positive controls validity:
valid
Remarks on result:
not determinable
Interpretation of results:
GHS criteria not met
Conclusions:
In this study under the given conditions the test item did not induce the luciferase activity in the transgenic KeratinoSens™ cell line in at least two independent experiment runs. Therefore, the test item can be considered as non sensitiser.
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

Ethanol, 2,2’-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 152261-44-4) is a reaction mixture of 3-aminopropyltriethoxysilane (CAS 919-30-2) and triethylene glycol (CAS 112-27-6). Triethylene glycol is the main component besides smaller amounts of ethanol (CAS 64-17-5). No free 3-aminopropyltriethoxysilane is detectable. Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 152261-44-4) is a close analogue to Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine (CAS 152261-43-3) and was submitted to an OECD 442D (Keratinosens) and an OECD 442E test (h-CLAT). As a complex reaction product (UVCB), the reaction product does not qualify for testing in an OECD 442C study (DPRA). Ethanol, 2,2’-[1,2-ethanediylbis(oxy)]bis-, reaction products with 3-(triethoxysilyl)-1-propanamine  exhibited no sensitizing effects in both studies.

 

These data were used for evaluation of Ethanol, 2,2’-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine, which is based on diethylene glycol (CAS‎ 111-46-6) instead of triethylene glycol. Diethylene glycol is the main component apart from ethanol. The reaction product with diethylene glycol does not contain free 3-aminopropyltriethoxysilane.

Similar to the tested reaction mixture, the reaction product with diethylene glycol is unstable upon contact with moisture. lt undergoes further condensation reactions that form highly polymerized poly silicic acids while liberating the diethylene glycol, that was initially bound to the oligomeric structures. The underlying chemistry is commonly known as sol-gel reaction. The poly silicic acid moieties are not stable and prone to further condensation generating waterinsoluble, resinous polymers. The molecular weight of the resulting polymers is predicted to be over 1000. These polymers are stable and not bioavailable.

Because 3-aminopropyltriethoxysilane is completely consumed into the polymer matrix the toxicological profile of the reaction product with diethylene glycol will be mainly determined by diethylene glycol and to a lesser extent by ethanol.

Neither diethylene glycol nor ethanol exhibit skin sensitizing properties, both solvents are not classified as sensitizers in accordance with Annex VI to Regulation (EC) No 1272/2008. However, it was demonstrated that 3-aminopropyltriethoxysilane is a skin sensitizer in the Buehler test. Hydrolysis products of 3-aminopropyltriethoxysilane did not show sensitizing effects in a guinea pig maximization study (OECD SIDS Initial Assessment Report, 3-aminopropyltriethoxysilane, 2003).

Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine does not contain free 3-aminopropyltriethoxysilane, which is the only monomer with skin sensitizing properties. 3-Aminopropyltriethoxysilane is incorporated in oligomeric structures which further polymerize. In addition, hydrolyzed 3-aminopropyltriethoxysilane is not sensitizing anymore. The contained solvents diethylene glycol and ethanol are no skin sensitizers. Based on the compositional information and due to polymerization of Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine no sensitizing effects are expected. This was confirmed by testing of an analogous reaction product in an OECD 442D and OECD 442E study. For this reason, Ethanol, 2,2'-oxybis-, reaction products with 3-(triethoxysilyl)-1-propanamine is not classified as skin sensitizer in a Weight of Evidence approach.