Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 291-707-5 | CAS number: 90459-62-4
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 12 October 2018 - 15 November 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- 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)”
- Version / remarks:
- 25 June 2018
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- activation of dendritic cells
Test material
- Reference substance name:
- Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized
- EC Number:
- 291-707-5
- EC Name:
- Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized
- Cas Number:
- 90459-62-4
- Molecular formula:
- C24H55N3O6S
- IUPAC Name:
- bis(2-aminoethyl)amine octadecanoic acid dimethyl sulfate
- Test material form:
- solid
- Remarks:
- paste
Constituent 1
In vitro test system
- Details on the study design:
- see "Any other information on materials and methods incl. tables"
Results and discussion
- Positive control results:
- The positive control gave positive results for both markers, meaning that the RFI values of both CD86 and CD54 expression was over the positive criteria (CD86 ≥ 150 % and CD54 ≥ 200 %) and the respective cell viabilities were more than 50% in each run.
In vitro / in chemico
Resultsopen allclose all
- Parameter:
- other: CV75 (µg/mL)
- Value:
- 17.6
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Parameter:
- other: EC200 for CD54 expression (µg/mL)
- Value:
- 9.8
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Parameter:
- other: EC150 for CD86 expression (µg/mL)
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: no clear dose-response was observed for CD86 expression, the effective concentration (EC150) corresponding to CD86 expression could not be determined
Any other information on results incl. tables
Preliminary tests (Dose finding assays)
Two independent runs for the dose finding assay were performed to determine the test item concentration that results in 75 % cell viability (CV75) compared to the solvent/vehicle control. For the first run the default 100 mg/mL stock solution was used for the test item dissolved in saline. This stock concentration corresponded to 1000 µg/mL as the highest final test item concentration on the plate.Due to low cell viability observed in the first run, for the second runlower stock concentration was used,which was 3.1 mg/mL. The highest final concentration on the plate was 30 µg/mL.
In the first run a 2-fold serial dilution was used when preparing the master solutions, but in the second run a 1.2-fold serial dilution was used in order to be able todetermine the CV75 value more accurately.
Table 4.a Dose finding test results
Date |
Test dose (µg/mL) |
8 |
16 |
31 |
63 |
125 |
250 |
500 |
1000 |
23-24. October 2018 |
Viability (%) |
91,5 |
76,4 |
37,1 |
6,9 |
0,4 |
1,7 |
37,6 |
58,7 |
Date |
Test dose (µg/mL) |
8,4 |
10,0 |
12,1 |
14,5 |
17,4 |
20,8 |
25 |
30 |
24-25. October 2018. |
Viability (%) |
94,0 |
93,1 |
90,9 |
86,7 |
79,5 |
69,0 |
57,6 |
56,2 |
Table 4.b Dose finding test results
Test dose (µg/mL) |
16 |
31 |
Log CV75 |
CV75 |
|
Viability (%) |
76,4 |
37,1 |
1,21 |
16,4 |
|
Test dose (µg/mL) |
17,4 |
20,8 |
Log CV75 |
CV75 |
|
Viability (%) |
79,5 |
69,0 |
|
1,27 |
18,8 |
AVERAGE |
17,6 |
CV75 values could be determined by log-linear interpolation based on the concentrations causing cell viabilities to lower close to 75%. The average CV75 value of the two runs (17.6 µg/mL) was used for setting the dose-range for measuring CD86 and CD54 expression in the main test.
Eight final concentrations (µg/mL) were used for the test item tested of the main test. These are (nominal concentrations):
1.2 × CV75 (21 µg/mL);
1 × CV75 (18 µg/mL);
1/1.2 × CV75 (15 µg/mL);
1/1.22 × CV75
(12 µg/mL);
1/1.23 × CV75 (10 µg/mL);
1/1.24 × CV75 (9 µg/mL);
1/1.25× CV75 (7 µg/mL);
and 1/1.26× CV75 (6 µg/mL).
Main tests (CD86 and CD54 expression)
The CD86/54 expression was measured shortly after determining CV75, using the same batch of THP-1 cells.
For CD86/CD54 expression measurement, the test item was tested in three independent runs to derive a single prediction (positive/negative). Each independent run was performed on a different day.
The relative fluorescence intensity (RFI) was calculated for the test item, positive and negative controls for each concentration in each run for both surface markers, using the geometric mean fluorescence intensities.
Negative and positive control
The positive control gave positive results for both markers, meaning that the RFI values of both CD86 and CD54 expression was over the positive criteria (CD86 ≥ 150 % and CD54 ≥ 200 %) and the respective cell viabilities were more than 50% in each run.
The DMSO controls had negative outcomes compared to the medium control for both markers in all runs, meaning that the RFI values of both CD86 and CD54 expression was never over the positive criteria.
The cell viabilities of medium and DMSO controls were higher than 90% in all runs (taken cell viabilities of the IgG1 isotypic control). For medium and DMSO controls, the MFI ratio of both CD86 and CD54 to isotype control was over 105%.
Table 5. Positive and negative control data
Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized |
sample |
concentration |
RFI |
viability (IgG1) |
||
CD86 |
CD54 |
IgG |
||||
Exposure date: |
DMSO |
0.2% |
111 |
79 |
93,5 |
|
DNCB |
4.2 μg/mL |
364 |
588 |
70,9 |
||
Exposure date: |
DMSO |
0.2% |
99 |
63 |
94,9 |
|
DNCB |
4.2 μg/mL |
635 |
368 |
75,0 |
||
Exposure date: |
DMSO |
0.2% |
104 |
72 |
90,2 |
|
DNCB |
4.6 μg/mL |
296 |
406 |
67,1 |
All runs were considered valid, since all runs have met the acceptance criteria stated above.
Test item
For the test item, the relative fluorescence intensity (RFI) of CD86 was greater than 150 % at some tested doses (with cell viability > 50 %) in the first and second run but not in the third run. No clear dose-response could be observed.
The RFI values for CD54 expression were greater than 200 % consequently at higher tested doses (with cell viability > 50 %) at all three independent runs and a clear dose response curve was presented with increasing concentrations and increasing RFI values.
Test item |
Obtained CV75 value (µg/mL) |
Result of the individual runs for CD86 (positive/negative) |
h-CLAT prediction for CD86 expression |
Result of the individual runs for CD54 (positive/negative) |
h-CLAT prediction for CD54 expression |
||||
Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized |
17.6 |
p |
p |
n |
positive |
p |
p |
p |
positive |
Table 6. Outcome of the individual runs of the main tests
n – negative outcome of a valid run
p- positive outcome of valid run
Since 3 out of 3 runs were positive for CD54 marker expression, and 2 out of 3 runs were positive and for CD86 marker expression, the overall outcome of the study was concluded as positive.
The test itemgave positive results for CD86 and CD54 too.Since no clear dose-response was presented for CD86 expression, the effective concentration (EC150) corresponding to CD86 expression could not be determined. But aclear dose-response was presented for CD54 expression, therefore the effective concentration value (EC200) was calculated(9.8 µg/mL, 8.1 µg/mL and 10.5 µg/mL in the first, second and third runs respectively).
Table 7. Effective concentrations for the test item
Test item |
EC150 |
EC200 |
Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized |
- |
9.8 |
Applicant's summary and conclusion
- Interpretation of results:
- other: expert judgement
- Remarks:
- positive in this assay; however, to conclude in the endpoint skin sensitisation, further studies covering MIE and key event 2 of the Adverse Outcome Pathway are taken into account.
- Conclusions:
- Based on the results and the h-CLAT prediction model, the test item “Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized” was concluded positive and demonstrated a sensitizing potential under the experimental conditions of human Cell Line Activation Test.
- Executive summary:
In the course of this study the skin sensitization potential of “Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized” was studied.
The extent of cytotoxicity induced on THP-1 cells by the test item was studied in two dose finding tests. The averagetest item concentration that results in 75% cell viability compared to the solvent/vehicle control was 17.6 µg/mL. This value was used for setting the dose‑range for measuring CD86 and CD54 expression in the main test. Eight doses were used in three independent runs between 23 µg/mL and 6 µg/mL.
The increase in CD86 marker expression (RFI) was greater than 150 % at some tested doses (with >50 % of cell viability) compared to the respective negative controls in two out of three runs. However the results were positive for CD86 expression, no clear dose-response could be observed, therefore the effective concentration (EC150) corresponding to CD86 expression could not be determined.
Also, the increase in CD54 marker expression (RFI) was greater than 200 % consequently at higher concentrations (with >50 % of cell viability) compared to the respective negative controls in all three independent run. A clear dose-response was presented for CD54 expression, therefore the effective concentration (EC200) was determined. The mean EC200 value for CD54 was 9.8 µg/mL.
Since the CD54 marker gave positive result at higher concentrations in all three independent runs and CD86 marker gave positive result at some tested dose in 2 out of 3 runs, the overall h-CLAT prediction was concluded positive, as well.
Table 1. Summary of the h-CLAT results for the test item
Name of the Test item
Obtained CV75 value
(µg/mL)
h-CLAT result for CD86 (positive/ negative)
h-CLAT result for CD54 (positive/ negative)
Obtained EC200 value
(µg/mL)
h-CLAT result obtained (sensitizer/ non-sensitizer)
Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized
17.6
positive
positive
9.8
sensitizer
Based on these results and the h-CLAT prediction model, the test item “Octadecanoic acid, reaction products with diethylenetriamine, di-Me sulfate-quaternized” was concluded positive and demonstrated a sensitizing potential under the experimental conditions of human Cell Line Activation Test.
However, to conclude in the endpoint skin sensitisation, further studies covering MIE and key event 2 of the Adverse Outcome Pathway are taken into account.
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.