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EC number: 500-276-7 | CAS number: 89800-10-2
- 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:
- weight of evidence
- Study period:
- 24 Nov - 21 Dec 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- Version / remarks:
- February 2015
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The Departement Of Health Of The Government Of The United Kingdom
- Type of study:
- activation of keratinocytes
Test material
- Reference substance name:
- ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol
- EC Number:
- 500-276-7
- EC Name:
- ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol
- Cas Number:
- 89800-10-2
- Molecular formula:
- {(C10H16O7).(C3H3O)b.[(C6H10O2)m.(C3H3O)a]} (i.e., UVCB substance)
- IUPAC Name:
- ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol
Constituent 1
In vitro test system
- Details on the study design:
- TEST METHOD
The in vitro KeratinoSens™ assay enables detection of the sensitising potential of a test substance using transgenic keratinocytes which were stably transfected with a selectable plasmid containing the luciferase gene under the transcriptional control of the Anti-oxidant Response Element (ARE) from a gene that is known to be upregulated by contact sensitisers. The luciferase activity, assessed by luminescence measurement, compared to the respective solvent controls is used to support discrimination between skin sensitiser and non-sensitisers.
TEST CELL LINE
- Type: KeratinoSens™
- Source: Givaudan, Switzerland
- Cell number at seeding: 10000 cells per well (96 well plates)
- Passage number: 14
CELL CULTURE CONDITIONS
- Type and identity of media: DMEM (Dulbecco's Modified Eagle's Medium) with GlutaMAX™ I, 1000 mg/L D-glucose, sodium pyruvate, human serum, (no geneticin used)
- Temperature (°C): 37
- CO2 (%): 5.0
- Relativ humidity: 95%
TEST CONCENTRATIONS
0.195, 0.391, 0.781, 1.563, 3.125, 6.25, 12.5, 25.0, 50.0, 100.0, 200.0 and 400.0 μg/mL
CONTROLS
Vehicle control
- Substance: dimethyl sulfoxide (DMSO)
- Final concentration: 1%
Positive control
- Substance: cinnamic aldehyde
- Final concentration: 8, 16, 32, 64 and 128 μM
EXPOSURE CONDITIONS
- Exposure duration: 48 ± 2 h
NUMBER OF REPLICATIONS: 3 runs (with 3 replicates (for luminescence and 2 for MTT))
DETERMINATION OF CELL VIABILITY
- Method: MTT assay
- Details on MTT assay design: After removal of the medium, cells were washed with HBSS. The working stock of MTT solution (1:5 dilution in DMEM from stock) was then applied to each well of the appropriate 96 well plates for 3 h prior to solubilisation using MTT solubilisation solution (50 µL). This was then mixed by shaking and read at 570 nm.
DETERMINATION OF LUMINESCENCE
- Device: luminometer
- Details on luminescence assay design: Cells were washed with PBS and then passive lysis buffer (1x; diluted from 5x using sterile water) was added, shaken for 1 min and incubated for 20 min. Following this, luciferase substrate (50 µL) was added by the luminometer and then read.
Results and discussion
- Positive control results:
- The mean of the positive control cinnamic (32 µM) acid was 2.11 (fold-induction).
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: experiment 1, test substance
- Parameter:
- other: maximum luciferase activity induction (Imax) (mean of 3 replicates)
- Value:
- 28.765
- Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- other: at 3.125 μg/mL
- Key result
- Run / experiment:
- other: experiment 1, test substance
- Parameter:
- other: EC1.5 [µg/mL]
- Remarks:
- (interpolated concentration for a 1.5 fold luciferase induction)
- Value:
- 0.36
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: experiment 2, test substance
- Parameter:
- other: maximum luciferase activity induction (Imax) (mean of 3 replicates)
- Value:
- 45.011
- Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- other: at 6.25 μg/mL
- Key result
- Run / experiment:
- other: experiment 2, test substance
- Parameter:
- other: EC1.5 [µg/mL]
- Remarks:
- (interpolated concentration for a 1.5 fold luciferase induction)
- Value:
- 0.28
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: experiment 3, test substance
- Parameter:
- other: maximum luciferase activity induction (Imax) (mean of 3 replicates)
- Value:
- 29.843
- Vehicle controls validity:
- valid
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Remarks on result:
- other: at 6.25 µg/mL
- Key result
- Run / experiment:
- other: experiment 3, test substance
- Parameter:
- other: EC1.5 [µg/mL]
- Remarks:
- (interpolated concentration for a 1.5 fold luciferase induction)
- Value:
- 0.55
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not examined
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- OTHER EFFECTS:
- Visible damage on test system: The test substance was soluble in 4% DMSO in culture medium 3 (4 x stock preparations) and min 1% DMSO in culture medium 3 (final concentrations). No precipitates were noticed in any concentration after 48 hours. An increase in metabolic activity (cell viability > 150%) was observed in cells showing a positive maximal luciferase intensity (starting at 500 μM in experiments 1 and 2).
DEMONSTRATION OF TECHNICAL PROFICIENCY: yes
ACCEPTANCE OF RESULTS:
- Acceptance criteria met for positive control: The luciferase activity induced by the positive control at a concentration of 32 μM was between 1.6 and 3.0 (mean = 2.11) and the calculated EC1.5 value was between 6 and 39 μM (mean = 11.5 μM).
- Acceptance criteria met for variability between replicate measurements: The average CV of the luminescence reading for the blank values control was < 20% (mean = 13.06%).
Any other information on results incl. tables
Table 1: Results of the cytotoxicity measurement and overall induction of luciferase activity
Concentration |
Cell viability (Mean and SD) |
Fold Induction (Mean and SD) |
|||||||||||
Experiment No. |
Experiment No. |
||||||||||||
1 |
2 |
3 |
1 |
2 |
3 |
||||||||
Mean |
SD |
Mean |
SD |
Mean |
SD |
Mean |
SD |
Mean |
SD |
Mean |
SD |
||
Vehicle control |
- |
100.00 |
- |
100.00 |
- |
100.00 |
- |
1.00 |
- |
1.00 |
- |
1.00 |
- |
Positive control |
8 |
99.80 |
7.82 |
114.92 |
6.63 |
110.52 |
1.82 |
1.45 |
0.07 |
2.50 |
0.21 |
1.06 |
0.06 |
16 |
113.04 |
2.66 |
128.44 |
9.26 |
121.17 |
11.60 |
1.88 |
0.03 |
6.38 |
0.89 |
1.09 |
0.06 |
|
32 |
107.62 |
1.34 |
206.35 |
15.66 |
114.38 |
3.07 |
2.84 |
0.22 |
44.71 |
1.94 |
1.39 |
0.05 |
|
64 |
120.75 |
2.36 |
-4.85 |
0.77 |
124.36 |
5.21 |
8.58 |
0.43 |
0.00 |
0.00 |
2.67 |
0.31 |
|
128 |
127.15 |
10.11 |
-1.04 |
0.36 |
148.96 |
13.64 |
47.44 |
2.45 |
0.00 |
0.00 |
8.73 |
0.69 |
|
Test substance |
0.195 |
129.46 |
7.76 |
110.39 |
4.83 |
100.69 |
4.52 |
1.21 |
0.20 |
1.24 |
0.15 |
0.98 |
0.08 |
0.391 |
115.23 |
2.22 |
107.26 |
3.74 |
98.48 |
1.09 |
1.56 |
0.15 |
1.84 |
0.11 |
1.34 |
0.13 |
|
0.781 |
127.01 |
4.59 |
121.50 |
7.77 |
108.84 |
2.46 |
3.31 |
0.51 |
1.40 |
0.16 |
1.73 |
0.05 |
|
1.563 |
129.60 |
2.24 |
146.27 |
21.64 |
128.19 |
1.38 |
9.19 |
2.05 |
1.97 |
0.15 |
5.59 |
0.59 |
|
3.125 |
114.03 |
17.81 |
138.69 |
1.12 |
144.40 |
10.49 |
28.77 |
1.50 |
9.03 |
4.45 |
24.32 |
0.79 |
|
6.250 |
-9.66 |
0.24 |
-3.15 |
2.47 |
35.23 |
3.92 |
0.06 |
0.04 |
45.01 |
14.42 |
29.84 |
3.04 |
|
12.500 |
-4.14 |
0.10 |
-0.04 |
2.77 |
-4.71 |
2.10 |
0.00 |
0.00 |
5.29 |
5.27 |
0.02 |
0.00 |
|
25.000 |
-14.47 |
0.32 |
-5.57 |
2.16 |
-8.15 |
2.06 |
0.01 |
0.00 |
0.01 |
0.00 |
0.00 |
0.00 |
|
50.000 |
-14.47 |
0.32 |
-7.96 |
0.47 |
-12.01 |
3.31 |
0.00 |
0.00 |
0.01 |
0.00 |
0.01 |
0.00 |
|
100.000 |
-9.56 |
3.90 |
-4.50 |
0.42 |
-5.58 |
1.23 |
0.00 |
0.00 |
0.01 |
0.00 |
0.00 |
0.00 |
|
200.000 |
0.74 |
2.09 |
-0.01 |
0.69 |
-3.00 |
1.26 |
0.01 |
0.00 |
0.01 |
0.00 |
0.00 |
0.00 |
|
400.000 |
-0.71 |
0.71 |
-1.08 |
2.44 |
-0.42 |
1.29 |
0.01 |
0.00 |
0.01 |
0.00 |
0.01 |
0.00 |
Table 2: Results of different sensitisation parameters of the test substance
|
Experiment No. |
||
1 |
2 |
3 |
|
Imax |
28.765 at 3.125 µg/mL |
45.011 at 6.25 µg/mL |
29.843 at 6.25µg/mL |
EC1.5 |
0.36 µg/mL |
0.28 µg/mL |
0.55 µg/mL |
IC50 |
4.743 µg/mL |
5.079 µg/mL |
5.827 µg/mL |
IC30 |
4.237 µg/mL |
4.638 µg/mL |
5.255 µg/mL |
Imax = maximal induction factor of luciferase activity compared to the solvent (negative) control measured at any test chemical concentration
EC1.5 = interpolated concentration for a 1.5 fold luciferase induction
IC50/30 = concentration effecting a reduction of cellular viability by 50/30%
Table 3: Results of different sensitisation parameters of the vehicle and positive control
|
Experiment No. |
||||||
1 |
2 |
3 |
|||||
Acceptance criterion |
Range |
Mean |
SD |
Mean |
SD |
Mean |
SD |
CV% of vehicle control |
< 20% |
8.85 |
4.47 |
6.49 |
4.26 |
9.54 |
2.81 |
No. of positive control concentration steps with significant luciferase activity induction >1.5 |
≥ 1 |
4 |
- |
3 |
- |
2 |
- |
EC1.5 positive control |
6 < x < 39 |
8.98 |
- |
8 |
- |
34.87 |
- |
Induction positive control at 32 µM |
1.6 < x < 3 |
2.84 |
0.215 |
44.714 |
1.939 |
1.39 |
0.051 |
CV= Coefficient of variation(a measure of variability that is calculated for a group of replicate data by dividing the standard deviation by the mean, multiplied by 100 for expression as a percentage)
Applicant's summary and conclusion
- Interpretation of results:
- other: skin sensitising potential based on the key event “inflammatory response in keratinocytes”
- Conclusions:
- Under the conditions of the test, the test substance did have a keratinocyte activating potential. The result does not allow for the non-classification or classification as skin sensitiser of the test substance and therefore further evaluation and/or data generation is required.
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