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EC number: 238-339-3 | CAS number: 14367-46-5
- 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 N-ethyl-p-methoxy-α-methylphenethylamine was estimated by SSS (2018) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor. N-ethyl-p-methoxy-α-methylphenethylamine was predicted to be sensitizing to the skin of male/female Dunkin - Hartley guinea pigs.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- data is from OECD QSAR toolbox v3.4 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.4
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Specific details on test material used for the study:
- - Name of test material: N-ethyl-p-methoxy-α-methylphenethylamine
- IUPAC name: N-ethyl-1-(4-methoxyphenyl)propan-2-amine
- Molecular formula: C12H19NO
- Molecular weight: 193.2881 g/mole
- Smiles Notation: CCNC(C)Cc1ccc(OC)cc1
- InChl: 1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3
- Substance type: Organic
- Physical state: Liquid (Colorless to pale yellow) - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male/female
- Details on test animals and environmental conditions:
- no data available
- Route:
- intradermal and epicutaneous
- Vehicle:
- not specified
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 10
- Details on study design:
- no data available
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- signs of dermal sensitization observed
- Remarks on result:
- positive indication of skin sensitisation
- Interpretation of results:
- other: Positive
- Conclusions:
- N-ethyl-p-methoxy-α-methylphenethylamine was predicted to be sensitizing to the skin of male/female Dunkin - Hartley guinea pigs.
- Executive summary:
The skin sensitization potential of N-ethyl-p-methoxy-α-methylphenethylamine was estimated by SSS (2018) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor. N-ethyl-p-methoxy-α-methylphenethylamine was predicted to be sensitizing to the skin of male/female Dunkin - Hartley guinea pigs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and "o" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Secondary amines by OECD HPV
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by US-EPA New
Chemical Categories
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Narcotic Amine by Acute aquatic
toxicity MOA by OASIS
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group C Surface
Tension > 62 mN/m OR (!Undefined)Group CNHal Lipid Solubility < 4 g/kg
OR (!Undefined)Group CNHal Lipid Solubility < 400 g/kg OR
(!Undefined)Group CNS Surface Tension > 62 mN/m OR (N/A) OR Exclusion
rules not met OR Group All log Kow < -3.1 OR Group All log Kow > 9 OR
Group All Melting Point > 200 C OR Group C Aqueous Solubility < 0.0001
g/L OR Group C Melting Point > 55 C OR Group C Molecular Weight > 350
g/mol OR Group C Vapour Pressure < 0.0001 Pa OR Group CHal Melting Point
> 65 C OR Group CN Aqueous Solubility < 0.0001 g/L OR Group CN Aqueous
Solubility < 0.1 g/L OR Group CN log Kow > 4.5 OR Group CN log Kow > 5.5
OR Group CN Melting Point > 180 C OR Group CN Molecular Weight > 290
g/mol OR Group CN Molecular Weight > 540 g/mol OR Group CN Vapour
Pressure < 0.001 Pa OR Group CNHal Aqueous Solubility < 0.001 g/L OR
Group CNHal Aqueous Solubility < 0.1 g/L OR Group CNHal log Kow > 3.8 OR
Group CNHal Molecular Weight > 370 g/mol OR Group CNHal Molecular Weight
> 380 g/mol OR Group CNS log Kow < 0.5 OR Group CNS log Kow < -2 OR
Group CNS Melting Point > 120 C OR Group CNS Melting Point > 50 C by
Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Alkylalkanol-amines OR Ketones
OR Phenols OR Primary and secondary aliphatic amines OR Sulfonic acids
or their salts OR Tertiary aliphatic amine by Skin irritation/corrosion
Inclusion rules by BfR
Domain
logical expression index: "i"
Similarity
boundary:Target:
CCNC(C)Cc1ccc(OC)cc1
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, secondary AND
Alkoxy AND Aryl AND Ether by Organic Functional groups
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Acetal OR Acrylate OR Alcohol by
Organic Functional groups
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, secondary AND
Alkoxy AND Aryl AND Ether by Organic Functional groups
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as AlkoxySilane by Organic
Functional groups
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.2
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.26
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
Skin Sensitization:
Various studies have been investigated for assessing the dermal sensitization potential of N-ethyl-p-methoxy-α-methylphenethylamine to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs as well predicted data for target chemical and its structurally similar read across chemical. The predicted data has also been compared with the experimental data.
The skin sensitization potential of N-ethyl-p-methoxy-α-methylphenethylamine was estimated by SSS (2018) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor. N-ethyl-p-methoxy-α-methylphenethylamine was predicted to be sensitizing to the skin of male/female Dunkin - Hartley guinea pigs.
This is supported by the experimental data a guinea pig Maximization assay performed to determine the degree of dermal sensitization caused by the structurally similar read across chemical. 10 female Hartley guinea pigs were used for the study.
During the induction phase, the test chemical in Freund's Adjuvant was injected into the skin of guinea pigs, then 1% of the test material was applied onto the skin. Negative control was also used (name not specified). After few days, the induced guinea pigs were challenged with 1% test chemical and observed for signs of erythema.
5 animals showed slightly greater degree of erythema than control animals. Five of ten animals induced with the test material in Freund's Adjuvant responded to challenge with a slightly greater degree of erythema than seen in animals previously injected with Freund's Adjuvant only.
Based on these observations, the test chemical was considered to be sensitizing to guinea pig skin.
Based on the available data for the target as well as read across chemicals and applying the weight of evidence approach,N-ethyl-p-methoxy-α-methylphenethylamine was considered to sensitizing to skin.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Available data for N-ethyl-p-methoxy-α-methylphenethylamine indicates that it is likely to cause dermal sensitization to skin.
N-ethyl-p-methoxy-α-methylphenethylamine can be considered to be sensitizer to skin.
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