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EC number: 248-595-8 | CAS number: 27668-52-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Prediction is done using QSAR Toolbox version 3.4.
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4.
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 3-(Trimethoxysilyl)propyldimethyloctadecylammonium
- Molecular formula : C26H58NO3Si.Cl
- Molecular weight : 496.287g/mol
- Smiles notation:CCCCCCCCCCCCCCCCCCN{+}(C)(C)(.Cl{-})CCC[Si](OC)(OC)OC
- InChl (if other than submission substance):
- Substance type: Organic - Species:
- guinea pig
- Strain:
- Hartley
- Sex:
- female
- Route:
- intradermal and epicutaneous
- Vehicle:
- not specified
- Concentration / amount:
- not specified
- Day(s)/duration:
- not specified
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Concentration / amount:
- not specified
- Day(s)/duration:
- not specified
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- not specified
- Details on study design:
- not specified
- Challenge controls:
- not specified
- Positive control substance(s):
- not specified
- Reading:
- 1st reading
- Group:
- test chemical
- Dose level:
- not specified
- No. with + reactions:
- 0
- Clinical observations:
- Non sensitizing
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- not sensitising
- Conclusions:
- The tet substance 3-(Trimethoxysilyl)propyldimethyloctadecylammonium is estimated to be not sensitizing in guinea pig by Guinea pig maximisation
test. - Executive summary:
The dermal sensitizing potential for 3-(Trimethoxysilyl)propyldimethyloctadecylammonium is estimated using OECD QSAR toolbox version 3.4.
The test substance is estimated to be not sensitizing in guinea pig by Guinea pig maximisation test.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" or "c" or "d" or "e") and("f"
and(not
"g")) ) and("h"
and(not
"i")) ) and("j"
and "k") )
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Alkoxysilanes AND Cationic
(quaternary ammonium) surfactants by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as AlkoxySilane AND Ammonium salt
AND Silane AND Surfactants - Cationic by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as AlkoxySilane AND Overlapping
groups AND Surfactants - Cationic by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Nitrogen,
single bonds [N{v+5}] AND Silicon, aromatic or oxygen attach [-Si-] by
Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as Anion AND Cation AND Quaternary
ammonium salt by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "g"
Referential
boundary:The
target chemical should be classified as Radical OR Radical >> ROS
formation after GSH depletion (indirect) OR Radical >> ROS formation
after GSH depletion (indirect) >> Haloalcohols OR SN2 OR SN2 >>
Alkylation by epoxide metabolically formed after E2 reaction OR SN2 >>
Alkylation by epoxide metabolically formed after E2 reaction >>
Haloalcohols OR SN2 >> Alkylation, direct acting epoxides and related OR
SN2 >> Alkylation, direct acting epoxides and related >> Epoxides and
Aziridines by DNA binding by OASIS v.1.4
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> Polarised
Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated esters OR SN2 OR
SN2 >> SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >>
Aliphatic halides by DNA binding by OECD
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.94
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 8.6
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization-
Various studies for target (3-(Trimethoxysilyl) propyldimethyloctadecylammonium ,CAS NO;27668-52-6)as well as its read across were summarized as follows:
The dermal sensitizing potential for 3-(Trimethoxysilyl)propyldimethyloctadecylammonium (27668-52-6) is estimated using OECD QSAR toolbox version 3.4.The test substance is estimated to be not sensitizing in guinea pig by Guinea pig maximisation test.
In other study by (DUPONT CHEM CO; 1992) with target (27668-52-6) was observed in human. Skin sensitization test was performed in human by using Human repeated insult patch test (HRIPT) using 2% concentration. The test solution was freshly prepared daily. Based on the above observation Dow Corning 5700 (27668-52-6) was determined to be not sensitizing.
In other study by (DUPONT CHEM CO; 1992) with target (27668-52-6) was observed in human. Skin sensitization test was observed in human by using various sock materials like wool, cotton, nylon, orlon and-spandex. Various sock materials like wool, cotton, nylon, orlon and-spandex treated with test chemical was used in 23 male volunteers for 32 days. After exposure it was observed that there was no skin sensitization was observed. After 32 days exposure to 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride did not show any evidence of dermal irritation or sensitization in the human volunteers. Hence, 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride can be considered as not sensitizing to human skin.
In other study by (DUPONT CHEM CO; 1992) with target (27668-52-6) was observed in human. Skin sensitization test was observed in human .Skin sensitization test was observed in human by using various sock materials like wool, cotton, nylon, orlon and-spandex treated with test chemical was used in 44 young male volunteers for 90 days. After exposure it was observed that there was no skin sensitization was observed.90 days exposure to 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride did not show any evidence of dermal irritation or sensitization in the human volunteers.Hence, 1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride can be considered as not sensitizing to human skin.
On the basis of available information for the target and applying weight of evidence approach, the test substance can be considered as not sensitising to the skin.
Migrated from Short description of key information:
The dermal sensitizing potential for 3-(Trimethoxysilyl)propyldimethyloctadecylammonium (27668-52-6) is estimated using OECD QSAR toolbox version 3.4.The test substance is estimated to be not sensitizing in guinea pig by Guinea pig maximisation test.
Justification for selection of skin sensitisation endpoint:
Data is from QSAR toolbox 3.4.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The test substance 3-(Trimethoxysilyl) propyldimethyloctadecylammonium was evaluated for its skin sensitizing property in various studies. From various study summaries the test substance3-(Trimethoxysilyl) propyldimethyloctadecylammonium was classified as non sensitizing.
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