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EC number: 211-189-6 | CAS number: 632-99-5
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride
- Common name: Fuschine
- Molecular formula: C20H19N3.HCl
- Molecular weight: 337.852
- Smiles notation: C(\c1cc(c(N)cc1)C)(c1ccc(N)cc1)=C1/C=CC(=N)C=C1.Cl
- InChl: 1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H/b20-14-,21-17?;
- Substance type: Organic
- Physical state: Solid
- Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Test temperature:
- 21-21.2°C
- pH:
- 7.9
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 222.81 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The median Effective concentration (EC50) value for (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride on Daphnia magna in a 48 hour study was estimated to be 223 mg/L on the basis of effects on intoxication
- Executive summary:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for target substance (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride (CAS no. 632 -99 -5). EC50 value was estimated to be 223 mg/l for Daphnia magna for 48 h duration. Based on this value it can be concluded that the substance (4 -(4 -aminophenyl)(4 -iminocyclo hexa-2,5 -dienylidene)methyl)-2 -methylaniline hydrochloride is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 7 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 ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and "r" )
and ("s"
and (
not "t")
)
)
and ("u"
and "v" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) AND
Dianilines AND Not categorized AND Triarylmethane Pigments/Dyes with
Non-solubilizing Groups by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkene OR Allyl OR Aniline OR
Aryl OR Dianilines OR Ketimine OR No functional group found by Organic
Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkene OR Allyl OR Dianilines OR
Ketimine OR No functional group found OR Overlapping groups by Organic
Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic
Nitrogen, one aromatic attach [-N] OR Aromatic Carbon [C] OR No
functional group found OR Olefinic carbon [=CH- or =C<] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic compound OR No
functional group found OR Primary amine OR Primary aromatic amine by
Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found AND Non-specific
AND Non-specific >> Incorporation into DNA/RNA, due to structural
analogy with nucleoside bases AND Non-specific >> Incorporation into
DNA/RNA, due to structural analogy with nucleoside bases >> Specific
Imine and Thione Derivatives AND Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Specific Imine and Thione Derivatives
AND SN1 AND SN1 >> Nucleophilic substitution on diazonium ions AND SN1
>> Nucleophilic substitution on diazonium ions >> Specific Imine and
Thione Derivatives by DNA binding by OASIS v.1.3 ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found AND SN1 AND SN1
>> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Primary
aromatic amine by DNA binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic
(PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR
SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >>
Aliphatic tertiary amines by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
AND Strong binder, NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, without OH or NH2 group OR
Weak binder, NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Alkaline Earth
OR Metalloids OR Metals OR Rare Earth OR Transition Metals by Groups of
elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 17 - Halogens Cl AND Group 17 - Halogens
F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P OR Group
16 - Oxygen O OR Group 17 - Halogens Br OR Group 17 - Halogens I by
Chemical elements
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Anilines (Unhindered) AND
Inorganic Compound by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Vinyl/Allyl Nitriles by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND No
functional group found AND Olefinic carbon [=CH- or =C<] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Valproic acid (Hepatotoxicity)
Alert by Repeated dose (HESS)
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.226
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.13
Description of key information
Using the OECD QSAR toolbox version 3.3 (2017) with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for target substance (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride (CAS no. 632 -99 -5). EC50 value was estimated to be 223 mg/l for Daphnia magna for 48 h duration. Based on this value it can be concluded that the substance (4 -(4 -aminophenyl)(4 -iminocyclo hexa-2,5 -dienylidene)methyl)-2 -methylaniline hydrochloride is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 223 mg/L
Additional information
Various predicted data for the target chemical (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride (CAS No. 632-99-5) and various supporting weight of evidence studies for its closest read across substances with logKow as the primary descriptorwere reviewed to summarize the following information:
Short term toxicity on aquatic invertebrate of target chemical(4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride (CAS No. 632-99-5) is predicted using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances (2017). On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 233 mg/l for Daphnia magna for 48 hr duration.Based on this value it can be concluded that the substance (4 -(4 -aminophenyl)(4 -iminocyclo hexa-2,5 -dienylidene)methyl)-2 -methylaniline hydrochloride is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
In another prediction done using the EPI Suite ECOSAR version 1.10 (EPI Suite, 2017), the short term toxicity on aquatic invertebrates was predicted for test substance(4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride (CAS No. 632-99-5).On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 1186.437 mg/l for Daphnia magna for 48 h duration.Based on this value it can be concluded that the substance (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride is considered to be not toxic to aquatic environment and can be not classified as per the criteria mentioned in CLP regulation.
In a weight of evidencestudy from authoritative database (ECOTOX database, 2017) of the read across chemical 4-[(4-dimethylaminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride (CAS no. 569-64-2),Short term toxicity to Litopenaeus schmitti (Southern white shrimp) study was carried out for 48 hrs. The study was based on the effects of the read across compound 4 -[(4 -dimethylamino phenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride on Litopenaeus schmitti in a static salt water system. Litopenaeus schmitti (Southern white shrimp) was used as a test organism. Based on effect on mortality of the test organism Litopenaeus schmitti, the 48 hr LC50 value was determined to be 77170 mg/l (LC50 value ranges from 60470 to 109120 mg/l), respectively. Thus, based on the LC50 value, it can be concluded that the substance 4 -[(4 -dimethylaminophenyl)-phenylmethyli dene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride can be considered as non-toxic to aquatic organisms and thus can be considered to be not classified as per the CLP classification criteria.
Another short term toxicity to Daphnia magna (Water flea) studyof the read across chemical 1-Hexene (CAS no. 592-41-6)was carried out for 48 hrs(ECOTOX database, 2017). The study was based on the effects of the read across compound 1-Hexene on Daphnia magna in a static fresh water system at a temperature of 20⁰C, hardness of water was approx. 210 mg/l CaCO3, dissolved oxygen ≥ 70%and pH range of 8.0 to 8.2, respectively. Daphnia magna (Water flea) of < 24 h old was used as a test organism. Study was performed using synthetic medium in glass stopped conical flask. Based on effect on intoxication of the test organism Daphnia magna, the 48 hr EC50 value was determined to be 30 mg/l. Thus, based on the EC50 value, it can be concluded that the substance 1-Hexenecan be considered as toxic to aquatic organisms. Since the test chemical 1-Hexene is readily biodegradable in nature, chemical 1-Hexene can be considered as non-toxic to aquatic organism and thus cannot be classified as hazardous as per the CLP classification criteria.
For the same read across chemical 1-Hexene(CAS no. 592-41-6) from authoritative database (ECOTOX database, 2017), short term toxicity to Daphnia magna (Water flea) study was carried out for 48 hrs. The study was based on the effects of the test compound1-Hexene(CAS no. 592-41-6) on Daphnia magna in a static fresh water system at a temperature of 20⁰C, hardness of water was approx. 210 mg/l CaCO3, dissolved oxygen ≥ 70% and pH range of 8.0 to 8.2, respectively. Daphnia magna (Water flea) of< 24 h old was used as a test organism. Study was performed using synthetic medium in glass beaker covered with a watch glass. Based on effect on intoxication of the test organism Daphnia magna, the 48 hr EC50 value was determined to be 60 mg/l (EC50 value ranges from > 32 to < 100 mg/l, respectively).Thus, based on the EC50 value, it can be concluded that the substance 1-Hexene can be considered as toxic to aquatic organisms. Since the test chemical 1-Hexene is readily biodegradable in nature, chemical 1-Hexene can be considered as non-toxic to aquatic organism and thus cannot be classified as hazardous as per the CLP classification criteria.
In a supporting weight of evidence study from secondary source (OECD SIDS, 2001), short term toxicity to Daphnia magna (Water flea) study was carried out for 48 hrs. The study was based on the effects of the read compound 1-Hexene (CAS no. 592-41-6) on Daphnia magna in a static fresh water system. The 24 and 48 hrs EC50 value was determined to be 540 and 230 mg/l, respectively. Thus, based on the EC50 value, it can be concluded that the substance 1-Hexene can be considered as non-toxic to aquatic organism and thus cannot be classified as hazardous as per the CLP classification criteria.
Thus, based on the overall reported results for target chemical(4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride(OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (fromauthoritative database ECOTOX and secondary source OECD SIDS),it can be concluded that the test substance (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride can be considered as non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.
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