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EC number: 250-151-3 | CAS number: 30364-51-3
- 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
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- Auto flammability
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- Stability in organic solvents and identity of relevant degradation products
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- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
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- Endpoint summary
- Stability
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- 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
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- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Skin Sensitisation in vitro (WoE, OECD 442C (DPRA), OECD 442D (LuSens), OECD 442E (h-CLAT)): not sensitising
Skin Sensitisation in vivo (WoE, OECD 406/EU Method B.6, Buehler and GPMT): not sensitising
RA from source substances Sodium N-lauroylsarcosinate (CAS 137-16-6), N-methyl-N-[C18-(unsaturated)alkanoyl]glycine (EC 701-177-3) and Glycine, N-methyl-, N-coco acyl derivatives, sodium salts (CAS 61791-59-1).
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- experimental study
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Study period:
- 18 Feb - 07 Apr 2013
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- significant methodological deficiencies
- Remarks:
- The study cannot be used for classification since the negative control is not valid and shows skin sensitizing properties.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 406 (Skin Sensitisation)
- Version / remarks:
- 1992
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.6 (Skin Sensitisation)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- GROUPE INTERMINISTERIEL DES PRODUCTS CHIMIQUES, Ivry-sur-Seine, France
- Type of study:
- guinea pig maximisation test
- Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Source: Charles River, L´Arbresle, France
- Age at study initiation: 4 weeks
- Weight at study initiation: 232 - 275 g
- Housing: The animals were housed individually or in groups of 2 in polycarbonate containers, the flooring of which was covered with dust-free cuttings and the top fitted with a stainless steel lid with a feeding device and drinking device of 500 mL.
- Diet: SAFE 106, ad libitum
- Water: tap water, ad libitum
- Acclimation period: at least 5 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 19 - 25
- Humidity (%): 30 - 70
- Air changes (per hr): 10 - 15
- Photoperiod (hrs dark / hrs light): 12/12 - Route:
- intradermal and epicutaneous
- Vehicle:
- other: physiological saline (intreadermal), distilled water (epicutaneous)
- Concentration / amount:
- Intradermal: 0.05%
Epicutaneous: 30% - Day(s)/duration:
- 0-19
- Adequacy of induction:
- highest concentration used causing mild-to-moderate skin irritation and well-tolerated systemically
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- other: distilled water
- Concentration / amount:
- Epicutaneous: 1 and 2%
- Day(s)/duration:
- 20
- Adequacy of challenge:
- other: highest non-irritant concentration (2%) and 0.5x highest non-irritant concentration (1%)
- No.:
- #2
- Route:
- epicutaneous, occlusive
- Vehicle:
- other: distilled water
- Concentration / amount:
- Epicutaneous: 0.5 and 1%
- Day(s)/duration:
- 29
- Adequacy of challenge:
- other: highest non-irritant concentration (1%) and 0.5x highest non-irritant concentration (0.5%)
- No. of animals per dose:
- 5 males (negative control)
10 males (test group) - Details on study design:
- RANGE FINDING TESTS:
- Determination by intradermal injection of the Maximal Non Necrotizing Concentration (MNNC):
Two animals received a volume of 0.1 mL of the test item, on both sides of the spine, at 4 concentrations: diluted at 30%, 20% and 10% and 5% in physiological saline in order to determine the MNNC. A macroscopic evaluation of the cutaneous reactions was conducted 24 hours after the injections. Due to necrosis observed in all animals, two news animals received in the same experimental conditions the test item at 3 concentrations: diluted at 2%, 1% and 0.5% in physiological saline in view to determine the MNNC. A macroscopic evaluation of the cutaneous reactions was conducted 24 hours after injection. Due to necrosis observed in all animals, the same animals received in the same experimental conditions the test item at 3 concentrations: diluted at 0.2%, 0.1% and 0.05% in physiological saline in view to determine the MNNC. No necrosis has been observed at the concentration of 0.05%. The first induction of the Group 2 (test group) has been carried out by intradermal injection at the maximal non-necrosing concentration of 0.05%.
- Determination by topical application of the Pre-Maximal Non Irritant Concentration (Pre-MNIC):
The test item was applied on the dorso-lumbar zone of two guinea pigs shorn beforehand, with occlusive dressing for 24 hours, at 4 different concentrations: diluted at 30%, 20% and 10% and 5% in distilled water. A macroscopic evaluation of the cutaneous reactions was conducted 24 hours after removal of the dressing. 24 hours after the removal of the occlusive dressings, moderate erythema associated with dryness was noted in all treated animals at the concentration 30%, 20% and 10%. In view of these results, the concentration selected was 30% for the 2nd induction of the Group 2 (test group) and the MNIC determination began at the concentration of 5%.
- Determination by topical application of the Maximal Non Irritant Concentration (MNIC):
Three guinea pigs were treated according to the same treatment as animals from GROUP 1 (negative control) for the induction phase (i.e. physiological saline and distilled water). During the challenge phase, the animals were treated with the test item placed onto the selected treatment sites and covered with an occlusive dressing for a period of 24 hours at 4 different concentrations: diluted at 5%, 2%, 1% and 0.5% in distilled water. A macroscopic evaluation of the cutaneous reactions was conducted 24 and 48 hours after removal of the occlusive dressing. 24 hours after the removal of the occlusive dressings slight to moderate erythema was noted in all animals (3/3), associated with slight edema in two animals (2/3) at the concentration 5%. 24 and 48 hours after the removal of the occlusive dressings, no skin reaction was noted on the treated area at 2%, 1% and 0.5%. In view of this result, the concentrations selected were 2% (MNIC) and 1% (1/2 MNIC) for the challenge phase.
MAIN STUDY
A. INDUCTION EXPOSURE
- No. of exposures: 2 (intradermal and epicutaneous, respectively)
- Exposure period: single injection (intradermal) and 48 h (epicutaneous)
- Test groups:
Intradermal (3 pairs of injections):
Injection 1: a 1:1 mixture (v/v) FCA/physiological saline
Injection 2: 0.05% test substance in physiological saline
Injection 3: 0.1% test substance in a 1:1 mixture (v/v) FCA/physiological saline
- Control group:
Injection 1: a 1:1 mixture (v/v) FCA/physiological saline
Injection 2: physiological saline
Injection 3: a 1:1 mixture (v/v) FCA/physiological saline
Epicutaneous: 30% in distilled water
- Site: scapular zone
- Frequency of applications: Day 0 (intradermal) and day 7 (epicutaneous)
- Duration: Day 0 - 9
- Concentrations: intradermal 0.05%, epicutaneous 30%
B. CHALLENGE EXPOSURE
- No. of exposures: 2
- Day(s) of challenge: 20 and 29
- Exposure period: 24 h
- Test groups: test substance only
- Control group: test substance only
- Site: dorso-lumbar zone
- Concentrations: 1 and 2% (challenge 1), 0.5 and 1% (challenge 2)
- Evaluation: 24, 48 and 72 - Challenge controls:
- The control group is actually a challenge control.
- Positive control substance(s):
- yes
- Remarks:
- alpha-Hexylcinnamaldehyde
- Positive control results:
- In conclusion, in view of these results, under these experimental conditions, the reference substance alpha-hexylcinnamaldehyde induced skin sensitization (80-100%) in several independent experiments.
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- n: 0%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 1%
- No. with + reactions:
- 5
- Total no. in group:
- 10
- Remarks on result:
- positive indication of skin sensitisation
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 2%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 2%
- No. with + reactions:
- 6
- Total no. in group:
- 10
- Remarks on result:
- positive indication of skin sensitisation
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 2%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 2%
- No. with + reactions:
- 1
- Total no. in group:
- 10
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- other: 3rd reading
- Hours after challenge:
- 72
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- other: 3rd reading
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- other: 3rd reading
- Hours after challenge:
- 72
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 2%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- other: 3rd reading
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 2%
- No. with + reactions:
- 1
- Total no. in group:
- 10
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 0.5%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 0.5%
- No. with + reactions:
- 4
- Total no. in group:
- 10
- Remarks on result:
- positive indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 1%
- No. with + reactions:
- 5
- Total no. in group:
- 10
- Remarks on result:
- positive indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 0.5%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 0.5%
- No. with + reactions:
- 4
- Total no. in group:
- 10
- Remarks on result:
- positive indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 1%
- No. with + reactions:
- 8
- Total no. in group:
- 10
- Remarks on result:
- positive indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 72
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 0.5%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 0.5%
- No. with + reactions:
- 2
- Total no. in group:
- 10
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 72
- Group:
- negative control
- Dose level:
- Induction: 0%, challenge: 1%
- No. with + reactions:
- 0
- Total no. in group:
- 5
- Remarks on result:
- no indication of skin sensitisation
- Reading:
- rechallenge
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- Induction: 0.05 and 30%, challenge: 1%
- No. with + reactions:
- 3
- Total no. in group:
- 10
- Remarks on result:
- positive indication of skin sensitisation
- Interpretation of results:
- study cannot be used for classification
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 19 Oct 2015 - 22 Jan 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- 2015
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- LANDESAMT FÜR UMWELT, WASSERWIRTSCHAFT UND GEWERBEAUFSICHT, Mainz, Germany
- Type of study:
- direct peptide reactivity assay (DPRA)
- Details on the study design:
- TEST SYSTEM:
- Cysteine- (C-) containing peptide: Ac-RFAACAA-COOH
- Lysine- (K-) containing peptide: Ac-RFAAKAA-COOH
TEST SAMPLE PREPARATION:
- The test substance was prepared as a 100 mM preparation (w/v) in de-ionized water (vehicle). After short stirring the test substance was soluble in the vehicle.
CONTROLS:
- Negative control (NC): = vehicle control (VC) = de-ionized water
- Positive control (PC): Ethylene glycol dimethacrylate (EGDMA) prepared as a 50 mM preparation in de-ionized water.
- Co-elution control: Sample prepared of the respective peptide buffer and the test substance but without peptide.
EXPERIMENTAL PRODECURE:
- The test substance was dissolved in de-ionized water. Three samples of the test substance were incubated with each peptide. The C-containing peptide was incubated with the test substance in a ratio of 1:10 (0.5 mM peptide, 5 mM test substance) and the K-containing peptide in a ratio of 1:50 (0.5 mM peptide, 25 mM test substance). Additionally, triplicates of the concurrent vehicle control were incubated with the peptides. The co-elution control was prepared in the same way as the test-substance samples described above but containing the respective peptide buffer instead of peptide. The samples were prepared in suitable tubes, capped tightly and incubated at 25 °C ± 2.5 °C in the dark for 24 +/- 2 hours. Prior to HPLC analysis the samples were visually investigated for any precipitate that may have formed during the exposure period. The remaining non-depleted peptide concentration was determined thereafter by HPLC with gradient elution and UV-detection at 220 nm. In addition, calibration samples of known peptide concentration, prepared from the respective peptide stock solution used for test-substance incubation, were measured in parallel with the same analytical method.
MEASUREMENT OF PEPTIDE CONCENTRATIONS:
- Eluent: A: 0.1% (v/v) trifluoracetic acid (≥99%) in de-ionized water; B: 0.085% (v/v) trifluoracetic acid (≥99%) in acetonitrile
- Flow rate: 0.35 mL/min
- Wavelength: 220 and 258 nm
- HPLC: Agilent HP 1100 - Key result
- Run / experiment:
- other: Mean value of triplicate samples
- Parameter:
- other: Cysteine peptide depletion
- Value:
- -8.52
- Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- other: no indication for peptide reactivity
- Key result
- Run / experiment:
- other: Mean value of triplicate samples
- Parameter:
- other: Lysine peptide depletion
- Value:
- 0.23
- Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- other: no indication for peptide reactivity
- Key result
- Parameter:
- other: Mean of both depletions
- Value:
- 0.11
- Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- other: no indication of peptide reactivity
- Other effects / acceptance of results:
- ACCEPTANCE CRITERIA OF THE DPRA:
- A study is considered acceptable if the positive control causes depletion of both peptides comparable to historic data.
- The standard calibration curve should have an r² >0.99.
- The negative control (vehicle control) samples of sets A and C should be 0.50 mM +/- 0.05 mM.
- The CV of the nine vehicle controls B and C should be <15%.
- Since the mean peptide depletion for each peptide is determined from the mean of three single samples, the variability between these samples should be acceptably low (SD <14.9% for % cysteine depletion and <11.6% for % lysine depletion). - Interpretation of results:
- other: negative for peptide reactivity
- Conclusions:
- Based on the observed results and applying the evaluation criteria described above the test material does not exhibit peptide reactive properties in the DPRA under the test conditions chosen.
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 14 Dec 2015 - 22 Jan 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Guideline 442E (In Vitro Skin Sensitisation: Human Cell Line Activation Test (h-CLAT)); at study initiation only a draft proposal of the current guideline was available
- Version / remarks:
- 2016
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- LANDESAMT FÜR UMWELT, WASSERWIRTSCHAFT UND GEWERBEAUFSICHT , Mainz, Germany
- Type of study:
- activation of dendritic cells
- Details on the study design:
- TEST SYSTEM:
- h-CLAT: THP-1 cells (human monocytic leukemia cell line)
TEST SAMPLE PREPARATION:
- The test substance was weighed and topped up with the chosen vehicle (culture medium) to achieve the required 2x concentration of the highest concentration (stock solution). Further concentrations were prepared as 2x concentrations by serial 1:1.2 dilution according to the planned concentrations in culture medium. The test-substance preparations were prepared by stirring and ultra-sonication.
- Reason for the vehicle: Culture medium was used because good homogeneity of the preparation was achieved.
- Form of application: Visual inspection of each dilution step was performed
CONTROLS:
- Negative control (NC): Lactic acid (1000 µg/mL in culture medium (RPMI 1640 with L-glutamine, 25 mM HEPES, 10% fetal bovine serum (FBS) inactivated, 1% penicillin/streptomycin, 0.05 mM 2-mercaptoethanol)
- Positive control (PC): 1- chloro-2,4-dinitrobenzene (DNCB, 4.0 μg/mL in 0.2% DMSO in culture medium (RPMI 1640 with L-glutamine, 25 mM HEPES, 10% fetal bovine serum (FBS) inactivated, 1% penicillin/streptomycin, 0.05 mM 2-mercaptoethanol)
- Vehicle control (VC): culture medium (RPMI 1640 with L-glutamine, 25 mM HEPES, 10% fetal bovine serum (FBS) inactivated, 1% penicillin/streptomycin, 0.05 mM 2-mercaptoethanol)
- Isotype control: In order to help distinguish non-specific (“background”) staining from specific antibody staining each test-substance concentration and control is additionally incubated with mouse IgG1.
EXPERIMENTAL PRODECURE:
- Preparation of the cells: THP-1 cells were thawed and cultured in suspension using complete RPMI 1640 medium supplemented with 10% fetal bovine serum (heat inactivated), 100 U/mL penicillin, 100 μg/mL streptomycin and 0.05 mM 2-mercaptoethanol under standard culture conditions (37 °C, ca. 5% CO2, ≥90% humidity) until for 5 passages but not longer than passage 30 prior to testing. For substance incubation, cells were seeded in 24-well plates (500 µL of 2.0 x 1E+06 cells/mL cell suspensions). Two independent and valid experiments were performed. In each experiment, duplicates of each test-substance concentration were tested.
- Test-substance application: Treatment was performed by adding 500 µL of test-substance preparation to the cells, thus diluting the 2x concentrated test-substance preparations to their final concentration and the cells to 1.0 x 1E+06 cells/mL. After test substance application the plates were sealed with semi-permeable plate sealers in order to prevent evaporation of the test substance. The plates were placed into the incubator under standard culture conditions for the exposure period of 24 hours.
- Visual inspections: Each test-substance concentration was visually inspected directly after application and after the exposure period of 24 hours in order to detect test-substance precipitates.
- Cell staining and flow cytometric analysis: After visual inspection the cells were transferred into safe-lock tubes, collected by centrifugation and washed twice with 1 mL FACS buffer. Cells were incubated with 600 µL of 0.01% Globulins Chon fraction II, III at 4 °C for 15 min to block FC receptors (FcR). After FcR blocking, cells of each treatment condition were divided into 3 aliquots (approximately 0.3 x 1E+06 cells/180 µL /group) in 96-well microtiter plates. Cells were centrifuged, supernatant was discarded and 50 µL working solution of FITC-labeled antibodies was added to each pellet. Cell staining was performed at 4°C for 30 min in the dark. After staining the cells were washed twice with 200 µL FACS buffer and finally re-suspended in 200 µL FACS buffer. Before analysis in the flow cytometer the cells were stained with 5 µL of PI (propidium iodide) (50 μg/mL diluted in FACS buffer) to yield a final concentration of 1.25 μg/mL PI. - Run / experiment:
- other: 1st experiment
- Parameter:
- other: RFI CD86
- Value:
- 97.4
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Run / experiment:
- other: 2nd experiment
- Parameter:
- other: RFI CD86
- Value:
- 126.7
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Run / experiment:
- other: 1st experiment
- Parameter:
- other: RFI CD54
- Value:
- 158.6
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Run / experiment:
- other: 2nd experiment
- Parameter:
- other: RFI CD54
- Value:
- 95.5
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- ACCEPTANCE CRITERIA OF THE H-CLAT:
- A tested concentration is not to be further evaluated when relative viability is less than 50%.
- Cell viability of vehicle control cells must yield at least 90%.
- In the positive control (DNCB), RFI values of both CD86 and CD54 should be over the positive criteria (CD86 ≥150% and CD54 ≥200%) and cell viability should be ≥50%.
- In the negative control (LA), RFI values of both CD86 and CD54 should not exceed the positive criteria (RFI CD86 <150% and RFI CD54 <200%) and cell viability should be ≥50%.
- For all vehicle controls, the MFI ratio of both CD86 and CD54 to isotype controls should be ≥105%.
- A study is considered acceptable if the positive and negative and vehicle control data lies within the range of the historic data. - Interpretation of results:
- other: negative for dendritic cell activation
- Conclusions:
- In summary, after 24 hours of exposure to the test substance CD86 and CD54 expression was not induced in THP-1 cells affording at least 50% viability in at least two independent experiments. From this it has to be concluded that the test substance does not induce dendritic cell activation under the conditions of the test chosen.
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 22 Sep 2015 - 22 Jan 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- Version / remarks:
- 2015
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- LANDESAMT FÜR UMWELT, WASSERWIRTSCHAFT UND GEWERBEAUFSICHT , Mainz, Germany
- Type of study:
- activation of keratinocytes
- Details on the study design:
- TEST SYSTEM:
- LuSens: human transgenic keratinocyte cell line derived from HaCaT cells
TEST SAMPLE PREPARATION:
- The test substance was weighed and topped up with the chosen vehicle (4% DMSO in culture medium 3) to achieve the required 4x concentration of the highest concentration (stock solution). Further concentrations were prepared as 4x concentrations by serial 1:1.2 dilution according to the planned concentrations (master plate).
- Reason for the vehicle: 4% DMSO in culture medium 3 was used because good homogeneity of the preparation was achieved.
CONTROLS:
- Negative control (NC): DL-Lactic acid (450 μg/mL in 1% DMSO in culture medium 3 (DMEM + 1% fetal bovine serum (FBS)))
- Positive control (PC): Ethylene glycol dimethacrylate (EGDMA) (18 μg/mL in 1% DMSO in culture medium 3 (DMEM + 1% fetal bovine serum (FBS)))
- Vehicle control (VC): 1% DMSO in culture medium 3 (DMEM + 1% fetal bovine serum (FBS))
- Blank control: culture medium 3 (DMEM + 1% fetal bovine serum (FBS)) without cells
- Basal control: culture medium 3 (DMEM + 1% fetal bovine serum (FBS)) with cells
EXPERIMENTAL PRODECURE:
- Preparation of the cells: LuSens cells were thawed and cultured in medium 1 (DMEM + 10% FBS + 1% penicillin / streptomycin, puromycin dihydrochloride 25 µL) under standard culture conditions (37°C, ca. 5% CO2, ≥90% humidity) for at least passage ≥5 but not longer than 15 passages prior to testing. Before substance incubation, cells were seeded in 96-well microtiter plates (120 μL of 0.83 x 1E+05 cells/mL cell suspensions), using culture medium 2 (DMEM + 10% FBS) for incubation for 24 hours. Three independent and valid experiments were performed. In each experiment, three replicates of each test-substance concentration were tested.
- Test-substance application for MTT and luciferase assay: After cell adaption for 24 hours medium 2 (DMEM + 10% FBS) was aspirated and replaced with 150 µL medium 3 (DMEM + 1% FBS ). Each preparation of the dilution plate was then applied in a ratio of 1:4 (50 µL) to the cells (final DMSO concentration in the test medium = 1%). After test substance application the plates were sealed with semi-permeable plate sealers in order to prevent evaporation of the test substance. The plates were incubated under standard culture conditions for the exposure period of 48 hours. For the luciferase assay a white plate (luminescence compatible plate) was used. In addition, a clear plate was treated in parallel for the determination of cell viability.
- Visual inspections: Each test-substance concentration was visually inspected directly after application and after the exposure period of 48 hours in order to detect test-substance precipitates.
- Luciferase assay: After visual inspection of the cells, the supernatant was aspirated from the white assay plate and discarded. The cells were washed twice with 300 μL PBS (with Ca2+/Mg2+). Subsequently, 200 µL of Steady-Glo-preparation (= 100 µL Steady-Glo- Mix and 100 µL PBS (without Ca2+/Mg2+)) per well was added and cells were shaken on a plate shaker for 10 min at room temperature in the dark. After the incubation the luminescence was measured in the luminometer TriStar² Multimode reader LB 942 (Berthold).
- Cell viability assay MTT: Cell culture medium was aspirated from all wells. The cells were washed twice with 300 μL PBS (with Ca2+/Mg2+). Thereafter, 200 µL of a 0.5 mg/mL thiazolyl blue tetrazolium bromide (MTT) solution (prepared 1:10 from a 5 mg/mL (MTT) stock solution in PBS (without Ca2+/Mg2+) and medium 3) was added to each well of the 96-well microtiter plate and incubated for 2 additional hours after sealing the plates in the incubator. For analysis, medium was aspirated and cells were lysed by adding 100 μL of lysis solution (99.6 mL DMSO; 10 g sodium dodecyl sulfate, SDS; and 0.4 mL glacial acetic acid). Absorbance was measured at 570 nm with reference wavelength 690 nm using a spectralphotometer (TriStar² Multimode reader LB 942 (Berthold). - Run / experiment:
- other: 1st experiment
- Parameter:
- other: EC1.50
- Remarks:
- µg/mL
- Value:
- 17
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Run / experiment:
- other: 2nd experiment
- Parameter:
- other: EC1.50
- Remarks:
- µg/mL
- Value:
- 17
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Run / experiment:
- other: 3rd experiment
- Parameter:
- other: EC1.50
- Remarks:
- µg/mL
- Value:
- 17
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- ACCEPTANCE CRITERIA OF THE LUSENS:
- A tested concentration is not further evaluated when relative viability is less than 70%.
- The cell viability of VC cells must yield at least 90%.
- The mean of the positive control EGDMA should achieve ≥2.50 fold induction and the mean of the LA <1.50 and the mean of the viability must be ≥70%. The CV [%] of the luminescence in the vehicle control wells for each plate should be below 20%.
- The mean of the basal expression of the cells must be <1.50 as compared to the solvent control.
- A study was considered acceptable if the positive and negative and vehicle control data lies within the range of the historic data.
OTHER EFFECTS:
- No precipitation of the test substance was recorded in any concentration after 48 h. - Interpretation of results:
- other: positive for keratinocyte activation
- Conclusions:
- In summary, after 48 hours of exposure to the test substance luciferase activity in LuSens cells was induced in at least two consecutive concentrations with statistical significance affording at least 70% viability in at least two independent experiments. From this it has to be concluded that the test substance has a keratinocyte activating potential.
- Endpoint:
- skin sensitisation, other
- Remarks:
- QSAR model
- 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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Remarks:
- Validated QSAR model. Calculation for Sodium N-methyl-N-(1-oxotetradecyl) aminoacetate
- Justification for type of information:
- 1. SOFTWARE
: OECD Toolbox v.2.3
2. MODEL (incl. version number) : databases Protein binding by OASIS, Protein binding by OECD and Protein Binding Potency
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL : O=C(N(CC(=O)O)C)CCCCCCCCCCCCC - Principles of method if other than guideline:
- Assessment of the protein binding properties of the substance, using the OECD QSAR Toolbox v2.3.0.1132 (2012); www.qsartoolbox.org
- GLP compliance:
- no
- Species:
- other: not applicable
- Strain:
- other: not applicable
- Parameter:
- other: protein binding
- Remarks on result:
- other: no protein binding predicted
- Interpretation of results:
- other: no protein binding
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- Summary of available data used for the endpoint assessment of the target substance
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Please refer to analogue justification report provided in IUCLID section 13
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- induction: 0.05 and 5%; challenge: 5%
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Remarks on result:
- other: Source: CAS 137-16-6, Inversek, 1987, GPMT
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- challenge: 5%
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Remarks on result:
- other: Source: CAS 137-16-6, Inversek, 1987, GPMT
- Key result
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- induction: 0.05 and 5%; challenge: 5%
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Remarks on result:
- other: Source: CAS 137-16-6, Inversek, 1987, GPMT
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- challenge: 5%
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Remarks on result:
- other: Source: CAS 137-16-6, Inversek, 1987, GPMT
- Group:
- positive control
- Remarks on result:
- other: no positive control group included in study
- Interpretation of results:
- other: CLP/EU GHS criteria not met, no classification required according to Regulation (EC) No 1272/2008.
- Executive summary:
.
Referenceopen allclose all
Table 3: Mean peptide depletions of cysteine, lysine and both peptides
Test item |
Cysteine peptide |
Lysine peptide |
Mean of both depletions [%] |
||
mean depletion [%] |
SD |
mean depletion [%] |
SD |
||
Test substance |
-8.52* |
0.73 |
0.23 |
1.58 |
0.11 |
Positive control |
69.60 |
10.41 |
9.47 |
2.77 |
39.54 |
*a negative mean depletion [%] is considered as 0 for further calculation
SD: standard deviation
Table 2: Results of preliminary cytotoxicity assessment
Concentration (final test substance) [µg/mL] |
Concentration (test substance) [µg/mL] |
%PI negative cells replicate 1 |
%PI negative cells replicate 2 |
%PI negative cells replicate 3 |
Mean viability of 3 replicates |
Rel. viability mean [%] |
Vehicle control |
Vehicle control |
94.5 |
92.2 |
91.8 |
92.8 |
100.0 |
0.5 |
1.7 |
94.6 |
93.7 |
92.1 |
93.5 |
100.7 |
1.0 |
3.3 |
95.0 |
94.4 |
93.6 |
94.3 |
101.6 |
5.0 |
17 |
94.2 |
93.9 |
92.0 |
93.4 |
100.6 |
10 |
33 |
94.5 |
94.3 |
92.3 |
93.7 |
101.0 |
50 |
165 |
89.4 |
83.1 |
84.8 |
85.8 |
92.4 |
100 |
330 |
7.9 |
6.6 |
5.6 |
6.7 |
7.2 |
500 |
1650 |
82.5 |
88.3 |
69.3 |
80.0 |
86.2 |
1000 |
3300 |
74.4 |
81.0 |
92.6 |
82.6 |
89.0 |
2000 |
6601 |
93.4 |
95.3 |
98.2 |
95.6 |
103.0 |
5000 |
16502 |
69.2 |
78.6 |
63.6 |
70.5 |
75.9 |
PI: propidium iodide
Table 3: RFI CD86, RFI CD54 and rel. viability; mean values and standard deviations (Experiment I)
Experiment I |
||||||
Concentration (test substance) [µg/mL] |
RFI CD86 |
RFI CD54 |
Viability |
|||
Mean [%] |
SD [%] |
Mean [%] |
SD [%] |
Rel. viability [%] |
SD of viability |
|
80 |
71.4 |
18.5 |
105.5 |
16.6 |
100.1 |
0.6 |
96 |
66.9 |
8.0 |
93.8 |
17.7 |
99.8 |
0.3 |
115 |
79.6 |
7.0 |
96.1 |
5.5 |
99.5 |
0.8 |
138 |
66.5 |
0.4 |
76.6 |
4.4 |
98.6 |
0.6 |
166 |
68.9 |
18.0 |
119.5 |
9.9 |
97.1 |
1.0 |
199 |
74.6 |
8.8 |
105.5 |
7.7 |
93.1 |
1.2 |
238 |
97.4 |
0.5 |
158.6 |
29.8 |
60.5 |
3.3 |
286 |
101.3 |
18.3 |
188.3 |
164.6 |
4.4 |
0.6 |
Vehicle control |
100.0 |
- |
100.0 |
- |
100.0 |
0.4 |
Negative control |
71.0 |
9.0 |
115.6 |
2.2 |
99.8 |
0.3 |
Positive control |
225.0 |
31.8 |
545.4 |
28.3 |
80.7 |
1.6 |
SD: standard deviation
RFI: relative fluorescence intensity
Table 4: RFI CD86, RFI CD54 and rel. viability; mean values and standard deviations (Experiment II)
Experiment II |
||||||
Concentration (test substance) [µg/mL] |
RFI CD86 |
RFI CD54 |
Viability |
|||
Mean [%] |
SD [%] |
Mean [%] |
SD [%] |
Rel. viability [%] |
SD of viability |
|
80 |
90.8 |
29.8 |
112.6 |
15.1 |
99.4 |
0.4 |
96 |
86.9 |
36.3 |
90.6 |
0.4 |
98.9 |
0.5 |
115 |
90.4 |
12.5 |
98.2 |
35.5 |
98.4 |
0.6 |
138 |
73.6 |
14.3 |
90.7 |
5.9 |
96.9 |
0.5 |
166 |
99.2 |
30.5 |
103.5 |
5.0 |
95.3 |
0.9 |
199 |
103.6 |
46.3 |
59.1 |
0.7 |
91.8 |
1.2 |
238 |
126.7 |
36.6 |
95.5 |
3.6 |
60.6 |
10.3 |
286 |
143.7 |
5.3 |
266.1 |
60.8 |
13.1 |
4.7 |
Vehicle control |
100.0 |
- |
100.0 |
- |
100.0 |
0.3 |
Negative control |
58.7 |
26.5 |
113.6 |
1.9 |
99.6 |
0.4 |
Positive control |
251.6 |
51.4 |
283.5 |
41.4 |
89.9 |
3.2 |
SD: standard deviation
RFI: relative fluorescence intensity
Table 2: Results of preliminary cytotoxicity assessment. The final test substance concentrations were calculated considering the purity/contents
Concentration (final test substance) [µg/mL] |
Concentration (test substance) [µg/mL] |
Mean OD570-690 of 3 replicates |
Mean relative viability [%] |
Vehicle |
Vehicle |
0.373 |
100.0 |
0.5 |
1.7 |
0.379 |
101.6 |
1.0 |
3.3 |
0.359 |
96.3 |
5.0 |
17 |
0.378 |
101.2 |
10 |
33 |
0.285 |
76.4 |
50 |
165 |
-0.001 |
-0.3 |
100 |
330 |
-0.002 |
-0.4 |
500 |
1650 |
-0.003 |
-0.9 |
1000 |
3300 |
-0.003 |
-0.8 |
2000 |
6601 |
-0.002 |
-0.6 |
The CV75 value (= estimated concentration that affords 75% cell viability) was determined by linear regression from the concentration response curve to be 35 μg/mL (test substance as provided by the sponsor). The negative value for rel. viability was considered to be zero for calculation.
Table 3: Mean values and standard deviations of luciferase induction and rel. viability as well as p-values of t-test (experiment I).
Concentration (test substance) [µg/mL] |
Experiment I |
|||||
Fold induction |
Rel. viability [%] |
T-test |
||||
Mean |
SD |
Mean |
SD |
p-value |
markers |
|
17 |
1.53 |
0.12 |
103.8 |
12.1 |
0.003 |
** |
20 |
1.61 |
0.12 |
94.2 |
7.8 |
0.002 |
** |
25 |
1.65 |
0.18 |
91.4 |
10.9 |
0.007 |
** |
29 |
1.52 |
0.20 |
90.9 |
9.8 |
0.016 |
* |
35 |
1.47 |
0.09 |
78.8 |
4.3 |
0.000 |
** |
42 |
1.80 |
0.19 |
75.2 |
2.9 |
0.005 |
** |
51 |
1.94 |
0.14 |
68.7 |
7.4 |
0.001 |
** |
61 |
4.25 |
0.35 |
25.7 |
5.3 |
0.001 |
** |
Vehicle |
1.00 |
0.18 |
100.0 |
3.7 |
- |
- |
Positive control |
3.81 |
0.63 |
98.4 |
8.6 |
0.000 |
** |
Negative control |
0.82 |
0.12 |
103.2 |
0.7 |
0.014 |
* |
*: p≤0.05
**: p≤0.01
Table 4: Mean values and standard deviations of luciferase induction and rel. viability as well as p-values of t-test (experiment II).
Concentration (test substance) [µg/mL] |
Experiment II |
|||||
Fold induction |
Rel. viability [%] |
T-test |
||||
Mean |
SD |
Mean |
SD |
p-value |
markers |
|
17 |
1.09 |
0.18 |
89.4 |
6.6 |
0.239 |
n.s. |
20 |
0.94 |
0.08 |
85.7 |
7.0 |
0.161 |
n.s. |
25 |
1.05 |
0.23 |
76.7 |
5.8 |
0.383 |
n.s. |
29 |
1.17 |
0.09 |
77.1 |
5.5 |
0.029 |
* |
35 |
1.34 |
0.24 |
71.8 |
6.5 |
0.062 |
n.s. |
42 |
1.46 |
0.27 |
62.6 |
2.9 |
0.048 |
* |
51 |
1.90 |
0.65 |
55.8 |
6.0 |
0.069 |
n.s. |
61 |
3.64 |
0.47 |
30.0 |
6.8 |
0.005 |
** |
Vehicle |
1.00 |
0.14 |
100.0 |
7.5 |
- |
- |
Positive control |
4.95 |
0.63 |
107.7 |
10.2 |
0.000 |
** |
Negative control |
0.81 |
0.08 |
119.0 |
1.8 |
0.001 |
** |
*: p≤0.05
**: p≤0.01
n.s.: not significant
Table 5: Mean values and standard deviations of luciferase induction and rel. viability as well as p-values of t-test (experiment III).
Concentration (test substance) [µg/mL] |
Experiment III |
|||||
Fold induction |
Rel. viability [%] |
T-test |
||||
Mean |
SD |
Mean |
SD |
p-value |
markers |
|
17 |
1.47 |
0.25 |
109.8 |
17.6 |
0.039 |
* |
20 |
1.54 |
0.15 |
100.4 |
7.1 |
0.008 |
** |
25 |
1.45 |
0.15 |
103.7 |
6.1 |
0.011 |
* |
29 |
1.67 |
0.08 |
93.0 |
5.4 |
0.000 |
** |
35 |
1.64 |
0.05 |
81.8 |
11.1 |
0.000 |
** |
42 |
2.07 |
0.25 |
79.0 |
10.5 |
0.007 |
** |
51 |
2.67 |
0.51 |
60.9 |
11.3 |
0.014 |
* |
61 |
4.16 |
0.64 |
12.0 |
6.0 |
0.007 |
** |
Vehicle |
1.00 |
0.15 |
100.0 |
3.6 |
- |
- |
Positive control |
4.88 |
0.52 |
91.0 |
4.3 |
0.000 |
** |
Negative control |
0.84 |
0.12 |
93.2 |
3.9 |
0.018 |
* |
*: p≤0.05
**: p≤0.01
The EC1.50 was calculated by linear regression from the results of the 17 μg/mL and the 20 μg/mL concentrations to be 19 μg/mL.
The modelling results from the OASIS and OECD databases for the test substance were given as 'no binding'. For the Protein Binding Potency database, the result was N/A, 'not applicable', because the substance did not comply with the application domain of the model.
Additional studies taken into account in the Weight-of-Evidence approach:
CAS 61791-59-1, Frey-Tox, 2005: not sensitising (Buehler)
EC 701-177-3, Ciba Geigy, 1981b: not sensitising (GPMT)
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
An in vivo skin sensitisation study with Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) is available (Phycher, 2014). However, the study has been disregarded due to major methodological deficiencies (Klimisch score 3). In fact, the study is considered not suitable for hazard assessment and classification purposes due to unreliable negative control data, as these were indicative of skin sensitisation. In order to assess the skin sensitisation potential of the registered substance, various in vitro and in vivo studies conducted both with Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) and with adequate analogue source substances are accounted for in a Weight-of-Evidence approach. Moreover, a QSAR calculation predicting the protein binding capability of the registered substance is also taken into account.
In vitro studies with Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3)
The reactivity of Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) towards synthetic cysteine (C)- or lysine (K)-containing peptides was recently evaluated in the Direct Peptide Reactivity Assay (DPRA) according to OECD TG 442C (BASF, 2016). For this purpose the test substance was incubated with synthetic peptides for ca. 24 hours at ca. 25°C and the remaining non-depleted peptide concentrations were determined by high performance liquid chromatography (HPLC) with gradient elution and UV-detection at 220 nm. The test substance was dissolved at a 100 mM concentration in de-ionized water. Three samples of the test substance were incubated with each peptide in ratios of 1:10 (for C-peptide) or 1:50 (for K-peptide). Visual observation after the 24 -hour incubation time did not reveal precipitates in any samples of the test substance with the peptides. Additionally triplicates of the concurrent vehicle control were incubated with the peptides. Further, a co-elution control was performed in order to detect possible interference of the test substance with the peptides. The samples consisted of the test substance, vehicle and the respective peptide buffer but without peptide. Moreover the samples were analyzed by measuring UV absorbance at 258 nm and the area ratio 220 nm / 258 nm was calculated as a measure of peak purity. No co-elution of test substance and peptides was noticed. The mean C-peptide depletion, caused by the test substance was determined to be -8.52%. The mean K-peptide depletion, caused by the test substance was determined to be 0.23%. Negative depletions were considered to be “zero” for calculation of the mean peptide depletion, which was thus calculated to be 0.11%. Based on the observed results it was concluded that Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) shows a minimal chemical reactivity in the DPRA under the test conditions chosen.
The keratinocyte activating potential of Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) was evaluated in the LuSens assay according to OECD TG 442D (BASF, 2016). For this purpose the test substance was incubated with a Luciferase reporter cell line (LuSens cells) for ca. 48 hours at 37°C and antioxidant response element (ARE) dependent luciferase activity was measured in a luminometer. In order to determine the concentrations suitable for the main experiment a pre-test was performed. Cells were exposed to 9 concentrations of the test substance and cytotoxicity was determined by MTT assay. The CV75 value (= estimated concentration that affords 75% cell viability) was determined by linear regression from the concentration response curve. In the main test luciferase activity was measured after 48 hour exposure. In parallel a MTT assay was performed to assess cytotoxicity of the test substance. A total of 3 valid experiments were performed. At concentrations used in the main experiment the test substance was soluble in 1% DMSO in culture medium 3 (based on good homogeneity of the preparation). No precipitates were noticed in any concentration after 48 hours. The EC1.50 (the concentration resulting in a 1.50-fold luciferase induction) was calculated to be 19 μg/mL (experiment 3). In summary, after 48 hours of exposure to test substance Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) luciferase activity in LuSens cells was induced in at least two consecutive concentrations with statistical significance affording at least 70% viability in at least two independent experiments. Therefore, it was concluded that the substance has a keratinocyte activating potential.
The potential of Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) to induce the cell membrane markers CD86 and CD54 expression was evaluated in the Human Cell Line Activation Test (h-CLAT) according to OECD TG 442E (BASF, 2016). For this purpose the test substance was incubated with human pro-monocytic cell line THP-1 for ca. 24 hours at 37°C and membrane markers expression was measured by flow cytometry. In order to determine the concentrations suitable for the main experiment a pre-test was performed. Cells were exposed to 10 concentrations of the test substance and cytotoxicity was determined by propidium iodide (PI) intercalation into the DNA. The CV75 value (=estimated concentration that affords 75% cell viability) was determined by linear regression from the concentration response curve. In the main test after 24 hour exposure THP-1 cells were stained with FITC labeled anti-human-CD86/ anti-human-CD54 antibody and propidium iodide and the fluorescence intensity was analyzed using flow cytometry. A total of 2 valid experiments was performed. At concentrations used in the main experiment the test substance was soluble in culture medium. No precipitates were noticed in any concentration after 24 hours. Calculation of an EC150 (the concentration resulting in a RFI of 150) for CD86 and an EC200 (the concentration resulting in a RFI of 200) for CD54 was not applicable. In summary, after 24 hours of exposure to Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) CD86 and CD54 expression was not induced in THP-1 cells affording at least 50% viability in at least two independent experiments. Therefore, it was concluded that the test substance did not induce dendritic cell activation.
Based on the results of the 3 in vitro studies, Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) is not peptide reactive, activates keratinocytes and does not activate dendritic cells. Therefore, the test substance is not to be considered a skin sensitiser. In addition, the protein binding properties of the substance were also assessed to predict skin sensitization potential using the OECD QSAR Toolbox, v2.3 (Dr. Knoell, 2013). The substance was predicted to be negative for protein binding potential, thus further supporting the lack of skin sensitisation potential.
Additional in vivo studies with adequate analogue substances
The skin sensitising properties of the analogue substance Sodium N-lauroylsarcosinate (CAS 137-16-6) were tested in a Guinea Pig Maximisation Test (GPMT) according to EU method B.6 under GLP conditions (Inversek, 1987). A preliminary range finding test was conducted to determine suitable concentrations for the main study for the intradermal injection and the patch testing. In the main study, female Dunkin-Hartley guinea pigs (20/group) were induced on Day 0 with 3 pairs of intradermal injections of FCA, 0.05% (v/v) of the test substance alone and 0.05% test substance in FCA/water. Epicutaneous induction was done by application of the test substance at 5% in water on Day 8. The negative control group was treated with FCA, water or water/FCA alone. Six days after the injection phase the injection site of each of the test and control group animals was shaved again and then wetted with 10% aqueous SLS to provoke a mild inflammatory response to enhance the possibility of sensitisation. Epicutaneous challenge exposure was conducted 20 days after the first induction for 24 h under occlusive conditions. Test substance was applied at a concentration of 5% on the right flank, and the vehicle was applied on the left flank, respectively. Evaluation of skin reactions was carried out 48 and 72 h after challenge exposure. No positive control substance was included in the study. Moderate erythema formation was noted in test group animals, and slight erythema was noted in control group animals after induction. After challenge exposure, all test and vehicle control animals showed no skin reactions after 48 and 72 h. No changes in body weight were observed in any animal during the study period. No further clinical signs were noted at any time point during the study. Thus, the available data on skin sensitisation do not provide evidence for sensitising properties of Sodium N-lauroylsarcosinate under the conditions of this GPMT.
Moreover, the skin sensitising properties of a further analogue substance, N-methyl-N-[C18-(unsaturated)alkanoyl]glycine (EC 701-177-3) were tested in a Guinea Pig Maximisation Test (GPMT) similar to OECD TG 406 (Ciba Geigy, 1981b). In the study, Pirbright white guinea pigs (20/group) were induced with a single intradermal injection of the test substance at 5% (in 20% ethanol, 80% saline) using the adjuvant complete Freund and an epicutaneous application of the test substance at 30% (Vaseline PhH VI) on the injection site. The negative control group was included in the study but no information about treatment was given. Epicutaneous challenge exposure was conducted 20 days after the first induction for 24 h under occlusive conditions. 3% of the test substance was applied on the flank. Evaluation of skin reactions was carried out 24 h after challenge. No positive control substance was included in the study. No skin reactions were observed in any animal in the negative control group. In the treatment group, three animals with very slight erythema and two animals with well-defined erythema were observed (corresponding to 25% positive results). Thus, the available data on skin sensitisation do not provide evidence for sensitising properties of the test substance under the conditions of this GPMT.
The skin sensitisation properties of the analogue substance Glycine, N-methyl-, N-coco acyl derivatives, sodium salts (CAS 61791-59-1) were tested in a study performed according to the OECD TG 406 under GLP conditions using the test for delayed contact hypersensitivity in guinea pigs (Buehler test, Frey-Tox, 2005). The Buehler test was performed on 30 female Albino guinea pigs (Crl:HA). For the dermal inductions the initially test item concentration was 100 and 75% (v/v), respectively (1st induction 100% (v/v), 2nd and 3rd induction 75% (v/v)), whereas a 50% (v/v) preparation of the test item was selected for the challenge application. Topical application of the appropriate test substance concentration (20 test animals) or vehicle (10 control animals) was performed once a week for 6 hours at the flanks of each animal for three consecutive weeks. Seven days following the last topical application of the test substance or vehicle all animals were challenged with the test substance at a concentration of 50% (v/v) for 6 hours. Skin reactions were evaluated 24 and 48 h after challenge application. Only 1/20 animals (5%) responded with a slight erythema formation after challenge application. As a limitation of this study, no periodically reliability checks with an appropriate positive control were performed. In conclusion, the test material was not skin sensitising under the conditions of this Buehler test.
Conclusion on all available data regarding skin sensitisation
No indication of skin sensitisation was obtained in reliable in vitro studies performed with Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3). A brief QSAR prediction of its protein binding ability also hints that no effect is to be expected. Moreover, in vivo studies with three adequate analogue substances did not result in skin sensitisation effects. Based on all available data from independent sources, both in vitro and in vivo, obtained with the registered substance itself and with analogue substances, it is therefore concluded that Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) is not a skin sensitiser.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based on the available in vitro and in vivo skin sensitisation data, Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364-51-3) is not expected to be a skin sensitizer; Thus, the data are considered conclusive but not sufficient for classification and, therefore, do not meet the criteria for classification according to Regulation (EC) No. 1272/2008 (CLP). No data regarding respiratory sensitisation are available.
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