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EC number: 236-338-2 | CAS number: 13310-75-3
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Remarks:
- Keratinosens
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- GLP compliance:
- yes
- Type of study:
- activation of keratinocytes
- Justification for non-LLNA method:
- Alternative in vitro method recommended in first intention by ECHA.
Test material
- Reference substance name:
- 2-propylvaleronitrile
- EC Number:
- 236-338-2
- EC Name:
- 2-propylvaleronitrile
- Cas Number:
- 13310-75-3
- Molecular formula:
- C8H15N
- IUPAC Name:
- 2-propylpentanenitrile
Constituent 1
In vitro test system
- Details on the study design:
- The test article was dissolved in dimethyl sulfoxide (DMSO) to the final concentration (200 mM). Serial dilutions were then made using DMSO to obtain 12 master concentrations of the test article (0.098, 0.196, 0.391, 0.781, 1.563, 3.125, 6.25, 12.5, 25, 50, 100 and 200 mM).
The master concentrations were then further diluted 25 fold into culture medium containing serum and finally used for treatment with a further 4 fold dilution factor so that the final concentrations of test article ranged from 0.98 to 2000 μM in 1% DMSO.
Aliquots of 50 μL of each of the final concentrations were transferred to each of three luciferase plates and a single viability plate. Each plate was sealed using a plate sealer and then incubated at 37±1°C, 5% (v/v) CO2 in air, in a humidified environment for 48±1 hours.
After the 48-hour exposure period, the medium in the luciferase plates was replaced with fresh medium containing 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT).The plate was sealed and incubated for 4 hours at 37±1°C, 5% (v/v) CO2. The MTT medium was then removed and SDS (at 10% w/v) added per well. The plate was sealed and placed into an incubator at 37±1°C, 5% (v/v) CO2 in air and left overnight. After the overnight incubation, the plate was shaken to ensure homogeneity of the solution in the wells and then absorption read at 600 nm using a SpectraMax M2e. After the 48-hour exposure period, the cells in the viability plate were washed with phosphate buffered saline and lysis buffer for luminescence readings was added to each well. The plates were then incubated for 20 minutes at 25±2°C, loaded into the luminescence plate reader and read.
Results and discussion
- Positive control results:
- Luciferase activity induction obtained with the positive control was statistically significant above the threshold of 1.5 at concentrations of 8 to 64 μM in Experiment 1, at concentrations of 4 to 64 μM in Experiment 2 and at concentrations of 16 to 64 μM in Experiment 3. The EC1.5 values for the positive control were 7.99, 2.45 and 11.53 μM in Experiments 1, 2 and 3, respectively. The average induction in the three replicates for the positive control at 64 μM was 22.07, 6.59 and 17.42 in Experiments 1, 2 and 3, respectively.
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: experiment 1
- Parameter:
- other: EC 1.5 (ug/mL)
- Value:
- 805
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: I(max) 1.73
- Key result
- Run / experiment:
- other: experiment 2
- Parameter:
- other: EC 1.5 (ug/mL)
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Remarks:
- I (max) 1.15; below thre threshold of 1.5 therefore EC1.5 could not be calculated
- Key result
- Run / experiment:
- other: experiment 3
- Parameter:
- other: EC 1.5 (ug/mL)
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- not determinable
- Remarks:
- I (max) 1.15; below thre threshold of 1.5 therefore EC1.5 could not be calculated
- Other effects / acceptance of results:
- Test item: The maximal fold increases (Imax) were 1.73, 1.15 and 1.16 for Experiments 1, 2 and 3, respectively. The EC1.5 value for Experiment 1 was 805 μg/mL. There were no EC1.5 values for Experiments 2 and 3 as there were no statistically significant increases in induction.
Positive control: The EC1.5 value for the positive control in Experiment 2 and the average induction at 64 μM in Experiments 1 and 3 were outside the range specified in the Protocol. These deviations from Protocol did not affect the integrity or outcome as the positive control gave a satisfactory dose response.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The test article, 2-propylvaleronitrile (CAS 13310-75-3), was considered to be negative in the ARE-Nrf2 Luciferase Test.
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