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EC number: 211-915-1 | CAS number: 710-04-3
- 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
- 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
A DEREK assessment, DPRA assay and KeratinoSensTMassay were performed in accordance with Section 8.3 of Annex VII of Regulation (EC) No 1907/2006 as amended in Commission Regulation (EU) 2016/1688 of 20 September 2016 and the strategy presented in ECHA Guidance on information requirements and chemical safety assessment Chapter R.7a. The studies were performed with substance analogue Delta octalactone, the rationale to read across the data are attached in Section 13.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation, other
- Remarks:
- In silico assessment
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- The rationale to read across the data is attached in Section 13.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Run / experiment:
- other: Delta Octalactone
- Parameter:
- other: Prediction on skin sensitization
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- Delta Octalactone does not contain any unclassified or misclassified features and is consequently predicted to be a non-sensitizer.
- Interpretation of results:
- study cannot be used for classification
- Remarks:
- (study is part of a weight of evidence approach and is not used for classification on its own)
- Conclusions:
- DEREK NEXUS version 6.0.1 did not yield any alerts for skin sensitization for the test item. Additionally, Delta Octalactone does not contain any unclassified or misclassified features and is consequently predicted to be a non-sensitizer. As Delta undecalactone has shared chemical structures, the result applies to Delta undecalactone as well.
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- The rationale to read across the data is attached in Section 13.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Run / experiment:
- other: Cysteine Reactivity Assay
- Parameter:
- other: Mean SPCC depletion(%)
- Value:
- 1.2
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Remarks:
- CV between reference controls: 0.8%
- Positive controls validity:
- valid
- Remarks:
- Mean percentage SPCC: 74.0% ± 0.2%.
- Remarks on result:
- other: SD: 0.3%
- Key result
- Run / experiment:
- other: Lysine Reactivity Assay
- Parameter:
- other: Mean percentage SPCC:
- Value:
- 2.5
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- valid
- Remarks:
- CV between reference controls: 1.3%
- Positive controls validity:
- valid
- Remarks:
- Mean percentage SPCL: 53.2% ± 1.8%.
- Remarks on result:
- other: SD: 0.7%
- Other effects / acceptance of results:
- All acceptability criteria were met and therefore the DPRA was considered to be valid.
See Table 2 & 3 "any other information on results incl. tables" for acceptibility criteria. - Interpretation of results:
- other: Study cannot be used for classification independently, but in a WoE for the end point Skin Sensitisation
- Conclusions:
- Delta octalactone was negative in the DPRA and was classified in the “no or minimal reactivity class” when using the Cysteine 1:10 / Lysine 1:50 prediction model. This result is read across to Delta undecalactone.
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- The rationale to read across the data is attached in Section 13.
- Reason / purpose for cross-reference:
- read-across source
- Positive control results:
- The EC1.5 of the positive control was between 26 and 125 μM (59 μM and 46 μM in experiment 1 and 2, respectively). A dose related response was observed and the induction at 250 μM was higher than 2-fold (3.98-fold and 4.59-fold in experiment 1 and 2, respectively).
- Key result
- Run / experiment:
- other: 1
- Parameter:
- other: Imax
- Value:
- 1.17
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Key result
- Run / experiment:
- other: 2
- Parameter:
- other: Imax
- Value:
- 1.12
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Other effects / acceptance of results:
- - In both experiments, no precipitation was observed at the start and end of the incubation period in the 96-well plates.
- In both experiments, the test item showed no toxicity. The viability of the cells was higher than 70% at all test concentrations and therefore no IC30 and IC50 values could be calculated.
- No luminescence activity induction compared to the vehicle control was observed at any of the test concentrations after treatment with the test item in both experiments. The Imax were 1.17 and 1.12 in experiment 1 and experiment 2, respectively. From these Imax values, no EC1.5 could be calculated.
Both experiments passed the acceptance criteria:
- The luciferase activity induction obtained with the positive control, Ethylene dimethacrylate glycol, was above the threshold of 1.5-fold in at least one concentration.
- The EC1.5 of the positive control was between 5 and 125 μM (26 μM and 46 μM in experiment 1 and 2, respectively). A dose related response was observed and the induction at 250 μM was higher than 2-fold (3.98-fold and 4.59-fold in experiment 1 and 2, respectively).
- Finally, the average coefficient of variation of the luminescence reading for the negative (solvent) control DMSO was below 20% (12% and 10% in experiment 1 and 2, respectively). - Interpretation of results:
- study cannot be used for classification
- Remarks:
- This study is part of a weight of evidence approach on which the classification is based.
- Conclusions:
- The test item showed no toxicity (no IC30 and IC50 value) and no biologically relevant induction of the luciferase activity (no EC1.5 value) was measured at any of the test concentrations two independent experiments. The maximum luciferase activity induction (Imax) was 1.17-fold and 1.12-fold in experiment 1 and 2 respectively. The test item is classified as negative in the KeratinoSens(TM) assay since negative results (<1.5-fold induction) were observed at test concentrations up to 2000 μM.
Based on the outcome of this KeratinoSens™ assay performed according to OECD guideline and GLP principles, Tetrahydro-6propyl-2H-pyran-2-one (delta octalactone) is classified as negative (no activation of the antioxidant/electrophile responsive element (ARE)-dependent pathway in keratinocytes) under the experimental conditions described in this report. This result is read across to Delta undecalactone.
Referenceopen allclose all
Table 2: Acceptability of the Direct Peptide Reactivity Assay (DPRA)
|
Cysteine reactivity assay |
Lysine reactivity assay |
||
Acceptability criteria |
Results for SPCC |
Acceptability criteria |
Results for SPCL |
|
Correlation coefficient (r2) standard calibration curve |
>0.99 |
0.996 |
>0.99 |
0.997 |
Mean peptide concentration RC-A samples (mM) |
0.50 ± 0.05 |
0.508 ± 0.006 |
0.50 ± 0.05 |
0.498 ± 0.007 |
Mean peptide concentration RC-C samples (mM) |
0.50 ± 0.05 |
0.505 ± 0.005 |
0.50 ± 0.05 |
0.498 ± 0.004 |
CV (%) for RC samples B and C |
<15.0 |
0.8 |
<15.0 |
1.3 |
Mean peptide depletion cinnamic aldehyde (%) |
60.8-100 |
74.0 |
40.2-69.0 |
53.2 |
SD of peptide depletion cinnamic aldehyde (%) |
<14.9 |
0.2 |
<11.6 |
1.8 |
SD of peptide depletion for the test item (%) |
<14.9 |
0.3 |
<11.6 |
0.7 |
RC = Reference Control; CV = Coefficient of Variation; SD = Standard Deviation.
Table 3: SPCC and SPCL Depletion, DPRA Prediction and Reactivity Classification for the Test Item
Test item |
SPCC depletion |
SPCL depletion |
Mean of SPCC and SPCL depletion |
DPRA prediction and reactivity classification |
||
Mean |
± SD |
Mean |
± SD |
Cysteine 1:10 / Lysine 1:50 prediction model |
||
Tetrahydro6propyl-2Hpyran-2-one (delta octalactone) |
1.2% |
±0.3% |
2.5% |
±0.7% |
1.9% |
Negative: No or minimal reactivity |
SD = Standard Deviation.
Table 1 Overview Luminescence Induction and Cell Viability of the test item in Experiment 1 and 2
Concentration (µM) |
0.98 |
2.0 |
3.9 |
7.8 |
16 |
31 |
63 |
125 |
250 |
500 |
1000 |
2000 |
Exp 1 luminescence |
1.13 |
1.00 |
1.06 |
1.14 |
1.17 |
1.14 |
1.12 |
1.15 |
1.09 |
0.95 |
0.90 |
0.80 |
Exp 1 viability (%) |
98.9 |
106.6 |
99.5 |
96.6 |
98.2 |
91.1 |
93.2 |
89.3 |
95.2 |
101.8 |
103.7 |
95.7 |
Exp 2 luminescence |
1.09 |
0.83 |
1.00 |
1.08 |
1.10 |
1.12 |
1.12 |
1.11 |
1.02 |
1.03 |
1.06 |
0.88 |
Exp 2 viability (%) |
115.4 |
122.4 |
99.8 |
102.3 |
100.6 |
97.8 |
95.8 |
95.1 |
96.7 |
98.3 |
97.9 |
102.5 |
Table 2 Overview Luminescence Induction and Cell Viability Positive Control EDMG in Experiment 1 and 2
Concentration (µM) |
7.8 |
16 |
31 |
63 |
125 |
250 |
Exp 1 luminescence |
1.22 |
1.28 |
1.60*** |
1.86*** |
2.67*** |
3.98*** |
Exp 1 viability (%) |
98.7 |
94.7 |
107.5 |
110.8 |
110.9 |
106.5 |
Exp 2 luminescence |
1.03 |
1.13 |
1.31 |
1.72*** |
2.32*** |
4.59*** |
Exp 2 viability (%) |
105.6 |
109.2 |
106.2 |
107.2 |
107.1 |
69.7 |
***p<0.001 Student’s t test
Table 3 Overview EC1.5, Imax, IC30 and IC50 Values
|
EC1.5(µM) |
Imax |
IC30(µM) |
IC50(µM) |
Test item Experiment 1 |
NA |
1.17 |
NA |
NA |
Test item Experiment 2 |
NA |
1.12 |
NA |
NA |
Pos Control Experiment 1 |
26 |
3.98 |
NA |
NA |
Pos Control Experiment 2 |
46 |
4.59 |
NA |
NA |
NA = Not applicable
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
For skin sensitization, substance analogue Delta octalactone was tested. The conclusion on this endpoint was drawn following a weight-of-evidence approach:
1. DEREK NEXUS version 6.0.1 did not yield any alerts for skin sensitization for Delta octalactone. It is of note that the substance does not contain any unclassified or misclassified features and is consequently predicted to be a non-sensitizer.
2. Delta octalactone was negative in the DPRA and was classified in the “no or minimal reactivity class” when using the Cysteine 1:10 / Lysine 1:50 prediction model.
3. Delta octalactone was classified as negative in a KeratinoSens™ assay (no activation of the antioxidant/electrophile responsive element (ARE)-dependent pathway in keratinocytes).
Based on this data-set it is concluded that there are no indications that Delta octalactone has skin sensitizing properties. This result is read across to Delta undecalactone.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The available data are considered sufficient to conclude that Delta undecalactone does not have to be classified for skin sensitizing properties according to Regulation 1272/2008 and amendments.
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.
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