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EC number: 203-908-7 | CAS number: 111-79-5
- 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 sensitization:
The skin sensitization potential of Methyl non-2-enoate (CAS No: 111-79-5) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. Methyl non-2-enoate (CAS No: 111-79-5) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Methyl non-2-enoate (CAS No: 111-79-5) failed to induce skin sanitization effects and hence is considered to be not sensitizing Dunkin-Hartley guinea pigs and can be classified under the category ˋ Not 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 peer reviewed document
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Human maximization test was conducted on 25 volunteers to assess the sensitization potential of test chemical Methyl nonylenate (CAS no: 111-79-5).
- GLP compliance:
- not specified
- Type of study:
- other: Human maximization test
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material: methyl (2E)-non-2-enoate
- Molecular formula: C10H18O2
- Molecular weight: 170.25 g/mol
- Smiles notation: C(\C=C\C(OC)=O)CCCCC
- InChl: 1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+
- Substance type: Organic
- Physical state: Liquid - Species:
- human
- Strain:
- other: not applicable
- Sex:
- not specified
- Details on test animals and environmental conditions:
- No data available
- Route:
- intradermal and epicutaneous
- Vehicle:
- petrolatum
- Concentration / amount:
- 20%
- Day(s)/duration:
- No data available
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- petrolatum
- Concentration / amount:
- 20%
- Day(s)/duration:
- 48 hours
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 25 volunteers
- Details on study design:
- No data available
- Challenge controls:
- No data available
- Positive control substance(s):
- not required
- Reading:
- 1st reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- 20%
- No. with + reactions:
- 0
- Total no. in group:
- 25
- Clinical observations:
- No skin sensitizing effects were observed.
- Remarks on result:
- no indication of skin sensitisation
- Cellular proliferation data / Observations:
- No skin sensitizing effects were observed.
- Interpretation of results:
- other: not sensitising
- Conclusions:
- The test material Methyl nonylenate (CAS no: 111-79-5) was considered to be not sensitizing to the skin of human subjects.
- Executive summary:
Human maximization test was conducted on 25 volunteers to assess the sensitization potential of test chemical Methyl nonylenate (CAS no: 111-79-5).
The subjects were exposed to the chemical at concentration of 20% in petrolatum under 48 hours closed patch test.
None of the volunteers produced any contact allergic reaction. Hence the chemical Methyl nonylenate (CAS no: 111-79-5) was considered as non sensitizing to the skin of human subjects.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization:
Various studieshas been investigated for the test chemicalMethyl non-2-enoate (CAS No: 111-79-5)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs and humans for target chemicalMethyl non-2-enoate (CAS No: 111-79-5) and its structurally similar read across substances2-Nonynoic acid methyl ester (CAS No: 111-80-8) and Ethyl caprylate (CAS No: 106-32-1).The predicted data using the OECD QSAR toolbox andDanish (Q) SAR Databasehas also been compared with the experimental data and summarized as below;
D. L. J. Opdyke (1979) carried out Human maximization test on 25 volunteers to assess the sensitization potential of test chemical Methyl nonylenate (CAS no: 111-79-5). During the test, the subjects were exposed to the chemical at concentration of 20% in petrolatum under 48 hours closed patch test. None of the volunteers produced any contact allergic reaction. Hence the chemical Methyl nonylenate (CAS no: 111-79-5) was considered as non sensitizing to the skin of human subjects.
The skin sensitization potential of Methyl non-2-enoate (CAS No: 111-79-5) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. Methyl non-2-enoate (CAS No: 111-79-5) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Methyl non-2-enoate (CAS No: 111-79-5) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.
According to the Danish (Q) SAR Database, the skin sensitization was estimated to be negative on guinea pig and human for Methyl non-2-enoate (CAS No: 111-79-5)by using Battery algorithm model of Danish QSAR. Hence Methyl non-2-enoate (CAS No: 111-79-5) was considered to be non skin sensitizer.
The above results were supported by Human maximization test conducted on 25 volunteers by D. L. J. Opdyke on twostructurally similar read across substances2-Nonynoic acid methyl ester (CAS No: 111-80-8) and Ethyl caprylate (CAS No: 106-32-1) in the year 1975 and 1976 respectively. In both the casesnone of the volunteers had positive skin reaction when exposed at concentration of 2% in petrolatum. Thus the chemicals 2-Nonynoic acid methyl ester (CAS No: 111-80-8) and Ethyl caprylate (CAS No: 106-32-1) were considered as non skin sensitizing.
Thus on the basis of available data for thetarget chemicalMethyl non-2-enoate (CAS No: 111-79-5) and its structurally similar read across substances2-Nonynoic acid methyl ester (CAS No: 111-80-8) and Ethyl caprylate (CAS No: 106-32-1),it can be concluded thatchemical Methyl non-2-enoate (CAS No: 111-79-5) is unable to cause skin sensitization and considered as non skin sensitizer.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The skin sensitization potential of test substance Methyl non-2-enoate (CAS No: 111-79-5) and its structurally similar read across substances2-Nonynoic acid methyl ester (CAS No: 111-80-8) and Ethyl caprylate (CAS No: 106-32-1) were observed in various studies. From the results obtained from these studies it is concluded that the chemical Methyl non-2-enoate (CAS No: 111-79-5) is not likely to cause skin sensitization and hence can be classified as non skin sensitizer.
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