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EC number: 204-376-9 | CAS number: 120-20-7
- 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
Key value for chemical safety assessment
Effects on fertility
Description of key information
NOAEL was estimated to be 313 mg/kg bw when Crj: CD(SD) male and female rats were orally exposed with 2-(3,4-dimethoxyphenyl)ethanamine.
Thus, as per criteria of CLP regulation, 2-(3,4-dimethoxyphenyl)ethanamine can be not classified for reproductive toxicity.
Link to relevant study records
- Endpoint:
- toxicity to reproduction
- 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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - Name: 2-(3,4-dimethoxyphenyl)ethan-1-amine
- InChI:1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
- Smiles:COc1ccc(CCN)cc1OC
- Name of test material: Homoveratrylamine
- Molecular formula :C10H15NO2
- Molecular weight :181.2335 g/mol
- Substance type:organic - Species:
- rat
- Strain:
- Crj: CD(SD)
- Details on species / strain selection:
- not specified
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: gavage
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- propylene glycol
- Details on exposure:
- not specified
- Details on mating procedure:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- not specified
- Frequency of treatment:
- Daily
- Details on study schedule:
- not specified
- Dose / conc.:
- 313 mg/kg bw/day
- No. of animals per sex per dose:
- 12
- Control animals:
- yes, concurrent vehicle
- Details on study design:
- not specified
- Positive control:
- not specified
- Parental animals: Observations and examinations:
- not specified
- Oestrous cyclicity (parental animals):
- not specified
- Sperm parameters (parental animals):
- not specified
- Litter observations:
- not specified
- Postmortem examinations (parental animals):
- not specified
- Postmortem examinations (offspring):
- not specified
- Statistics:
- not specified
- Reproductive indices:
- not specified
- Offspring viability indices:
- not specified
- Clinical signs:
- not specified
- Dermal irritation (if dermal study):
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Immunological findings:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
- Reproductive function: oestrous cycle:
- no effects observed
- Reproductive function: sperm measures:
- not specified
- Reproductive performance:
- not specified
- Dose descriptor:
- NOAEL
- Effect level:
- 313 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- reproductive function (oestrous cycle)
- Remarks on result:
- other: No effect observed
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
- Clinical signs:
- not specified
- Dermal irritation (if dermal study):
- not specified
- Mortality / viability:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Sexual maturation:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Histopathological findings:
- not specified
- Other effects:
- not specified
- Behaviour (functional findings):
- not specified
- Developmental immunotoxicity:
- not specified
- Dose descriptor:
- other: not specified
- Generation:
- other: not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
- Relation to other toxic effects:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
- Conclusions:
- NOAEL was estimated to be 313 mg/kg bw when Crj: CD(SD) male and female rats were orally exposed with 2-(3,4-dimethoxyphenyl)ethanamine.
- Executive summary:
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the reproductive toxicity was estimated for 2-(3,4-dimethoxyphenyl)ethanamine. The NOAEL was estimated to be 313 mg/kg bw when Crj: CD(SD) male and female rats were orally exposed with 2-(3,4-dimethoxyphenyl)ethanamine.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and "m" )
and "n" )
and "o" )
and "p" )
and ("q"
and "r" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Primary 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 Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Hydroquinones by DNA binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Narcotic Amine by Acute aquatic
toxicity MOA by OASIS
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor by
in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Aliphatic N-nitro group OR No
alert found by in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Arylethanamine-like derivatives
(11a) AND Known precedent reproductive and developmental toxic potential
by DART scheme v.1.0
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Piperazine-, dioxane-,
morpholine-, tetrahydrothiopyran-like derivatives and cyclohexanamine
(17c) by DART scheme v.1.0
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Metalloids OR
Transition Metals by Groups of elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary AND
Aryl AND Ether by Organic Functional groups ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary AND
Aryl AND Ether by Organic Functional groups ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary AND
Aryl AND Ether by Organic Functional groups ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Amine AND
Aromatic compound AND Ether AND Primary aliphatic amine AND Primary
amine by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.247
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.8
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 313 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- Data is klimisch 2 and from OECD QSAR toolbox (2018)
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Additional information
Reproductive toxicity:
In different studies, 2-(3,4-dimethoxyphenyl)ethanamine has been investigated for reproductive toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimation in rodents, i.e. most commonly in rats for 2-(3,4-dimethoxyphenyl)ethanamine along with the study available on structurally similar read across substance 1,3-Bis (aminomethyl) benzene (CAs no1477-55-0) and 4-methoxyphenyl) acetic acid (CAS no 104-01-8). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.
In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the reproductive toxicity was estimated for 2-(3,4-dimethoxyphenyl)ethanamine. The NOAEL was estimated to be 313 mg/kg bw when Crj: CD(SD) male and female rats were orally exposed with 2-(3,4-dimethoxyphenyl)ethanamine.
In another experimental study conducted by J-check (Ministry of Health, Labour and Welfare", "Ministry of the Environment" and "National Institute of Technology and Evaluation, 2010) on structurally similar read across substance 1,3-Bis (aminomethyl) benzene (CAs no1477-55-0), Crj:CD(SD) male and female rats were treated with D-Camphor in the concentration of 0 (vehicle), 50, 150, 450 mg/kg/day orally by gavage for 45 -48 days. Three males and one female died at 450 mg/kg bw and one male died at 150 mg/kg bw as compared to control. Salivation, nasal, rattle, irregular respiration, abdominal distension and nasal discharge were observed at 450 mg/kg bw. Salivation were observed in male rats at 150 mg/kg bw as compared to control. Decreased in body weight and food consumption was observed in treated male and female rats as compared to control. Similarly, No effect on estrous cycle, copulation index, fertility index, gestation length, number of corpora lutea or implantations, implantation index, gestation index, delivery index and, parturition or maternal behavior was observed in treated rats as compared to control. Significant increase in absolute and relative thymus weight and decrease in adrenal gland were observed at 450 mg/kg bw and Significant increase in relative weight of the testes were observed in male rats, but not statistically significant as compared to control. No effect on reproductive organ weight was observed as compared to control. Ulceration of the stomach and squamous hyperplasia of the forestomach were observed in male and female at 450 mg/kg bw as compared to control. In addition, No effect on viability and body weight of pups on day 0 and 4 were observed as compared to control. No external abnormalities were observed in pups as compared to control. Therefore, NOAEL was considered to be 450 mg/kg bw for P and F1 generation when Crj:CD(SD) male and female rats were treated with 1,3-Bis (aminomethyl) benzene orally by gavage for 45 -48 days.
Further supported by experimental study conducted by Kotinet al(National Cancer Institute Division of Cancer Cause &Prevention Carcinogenesis Program Bethesda, Maryland, 1968) on structurally similar read across substance 4-methoxyphenyl) acetic acid (CAS no 104-01-8), B6C3F1 female mice were treated with (4-methoxyphenyl)acetic acid in the concentration of 0 and 215 mg/kg bw/day in 0.5% gelatin for 7 to 28 day and after dose is administer through diet at 560 ppm for 18 months. Body weight gain was observed with the increase in duration of treatment. No gross pathological changes were observed in treated female mice. In addition, no fibroadenoma and carcinoma mammary gland were observed in treated female mice as compared to control. Therefore, NOAEL was considered to be > 215 mg/kg bw when B6C3F1 female mice by using (4-methoxyphenyl) acetic acid for 18 months.
Thus, based on the above study and predictions on 2-(3,4-dimethoxyphenyl)ethanamine and its read across substances, it can be concluded that NOAEL value is 313 mg/kg bw with no effect on reproduction. Thus, as per criteria of CLP regulation, 2-(3,4-dimethoxyphenyl)ethanamine can be not classified for reproductive toxicity.
Effects on developmental toxicity
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based on the above study and predictions on 2-(3,4-dimethoxyphenyl)ethanamine and its read across substances, it can be concluded that NOAEL value is 313 mg/kg bw with no effect on reproduction. Thus, as per criteria of CLP regulation, 2-(3,4-dimethoxyphenyl)ethanamine can be not classified for reproductive toxicity.
Additional information
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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