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EC number: 244-034-6 | CAS number: 20780-49-8
- 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
Skin sensitisation
The skin sensitization potential of the given test chemical was assessed in various studies conducted on guinea pigs and humans. Based on the available studies, it can be concluded that the test chemical is unable to cause skin sensitization and thus it cannot be classified as per CLP regulation.
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:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from publication.
- Qualifier:
- according to guideline
- Guideline:
- other: as per mentioned below
- Principles of method if other than guideline:
- A maximization test of the given test chemical was carried out on 28 volunteers.
- GLP compliance:
- no
- Type of study:
- other: maximization test
- Justification for non-LLNA method:
- No data available
- Specific details on test material used for the study:
- Name of test material (as cited in study report): Dihydrocitronellyl acetate
IUPAC name: 3,7-dimethyl-1-octyl acetate
Molecular formula: C12H24O2
Molecular weight: 200.32 g/mol
Smiles notation: C([C@@H](CCOC(C)=O)C)CCC(C)C
InChl: 1S/C12H24O2/c110(2)65711(3)891412(v4)13/h1011H,59H2,14H3
Substance Type: Organic
Physical State: Liquid - Species:
- human
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals and environmental conditions:
- No data available
- Route:
- other: No data available
- Vehicle:
- petrolatum
- Concentration / amount:
- 8%
- Route:
- other: No data available
- Vehicle:
- petrolatum
- Concentration / amount:
- 8%
- No. of animals per dose:
- 28 volunteers
- Details on study design:
- No data available
- Challenge controls:
- No data available
- Positive control substance(s):
- not specified
- Positive control results:
- No data available
- Reading:
- 1st reading
- Group:
- test chemical
- Dose level:
- 8% in petrolatum
- No. with + reactions:
- 0
- Total no. in group:
- 28
- Clinical observations:
- No skin sensitization reaction was observed
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitising
- Conclusions:
- The given test chemical was considered to be non sensitizing to human skin.
- Executive summary:
A maximization test was carried out on 28 volunteers to assess the skin sensitization potential of the test chemical. The given test material was tested at a concentration of 8% in petrolatum and produced no sensitization reactions. Hence, the given test chemical was considered to be not sensitizing to human skin.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
In different studies, the given test chemical has been investigated for the dermal sensitization potential to a greater or lesser extent. The studies are based on in-vivo experiments conducted in humans and guinea pigs that have been summarized as below -
A maximization test was carried out on 28 volunteers to assess the skin sensitization potential of the test chemical. The given test material was tested at a concentration of 8% in petrolatum and produced no sensitization reactions. Hence, the given test chemical was considered to be not-sensitizing to human skin.
Skin sensitization effects were also estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database for the test chemical. Based on estimation, the skin sensitization was estimated to be negative on guinea pig and human for the given test chemical. Therefore, the test chemical was considered to be not sensitizing.
The estimated result is further supported by a maximization test carried out to assess the dermal sensitization potential of the test chemical in human subjects. In skin sensitization study, 24 volunteers were studied at a test chemical concentration of 10 % in petrolatum. No reaction was observed. Therefore, the given test chemical was considered to be not sensitizing to humans.
The results of the maximization test were supported by a skin sensitization study, 26 volunteers were tested by maximization test at a given test chemical concentration of 2% in petrolatum. No reaction was observed. Therefore, the given test chemical was considered to be not sensitizing to humans.
The results from these experimental and estimated studies lead to a possibility of the test chemical being not sensitizing to skin. Comparing the above annotations with the criteria of CLP regulation, the test chemical cannot be classified for “Skin sensitization”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The results from these experimental and estimated studies lead to a possibility of the test chemical being not sensitizing to skin. Comparing the above annotations with the criteria of CLP regulation, the test chemical cannot be classified for “Skin sensitization”.
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