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EC number: 248-895-9 | CAS number: 28198-05-2
- 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
The skin sensitization potential of 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone (CAS no. 28198 -05 -2) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. The substance 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone was predicted to be non sensitizing to the skin of female CBA/Ca mice.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation
- Remarks:
- in vivo
- 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 v3.3 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 v3.3
- GLP compliance:
- not specified
- Type of study:
- mouse local lymph node assay (LLNA)
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone
- Molecular formula: C34H34N2O4
- Molecular weight: 534.6526 g/mole
- Smiles notation: CCCCc1ccc(cc1)Nc2ccc(c3c2C(=O)c4c(ccc(c4C3=O)O)O)Nc5ccc(cc5)CCCC
-InChl:1S/C34H34N2O4/c1-3-5-7-21-9-13-23(14-10-21)35-25-17-18-26(36-24-15-11-22(12-16-24)8-6-4-2)30-29(25)33(39)31-27(37)19-20-28(38)32(31)34(30)40/h9-20,35-38H,3-8H2,1-2H3
- Substance type: Organic
- Physical state: Solid - Species:
- mouse
- Strain:
- CBA/Ca
- Sex:
- female
- Details on test animals and environmental conditions:
- no data available
- Vehicle:
- unchanged (no vehicle)
- Concentration:
- 0-25%
- No. of animals per dose:
- 4
- Details on study design:
- no data available
- Positive control substance(s):
- not specified
- Statistics:
- no data available
- Positive control results:
- no data available
- Other effects / acceptance of results:
- no data available
- Parameter:
- SI
- Test group / Remarks:
- test group
- Remarks on result:
- no indication of skin sensitisation based on QSAR/QSPR prediction
- Cellular proliferation data / Observations:
- no data available
- Interpretation of results:
- other: not sensitizing
- Conclusions:
- 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone was predicted to be non sensitizing to the skin of female CBA/Ca mice.
- Executive summary:
The skin sensitization potential of 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone was predicted to be non sensitizing to the skin of female CBA/Ca mice.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a"
or "b" or "c" or "d" )
and "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and "i" )
and "j" )
and ("k"
and "l" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Hydroquinones OR Phenols, Poly
by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkyl arenes OR Anthracenone/
Antracendione OR Aromatic amine OR Aryl OR Cycloketone OR Diketone OR
Fused carbocyclic aromatic OR Phenol by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkyl arenes OR Anthracenone/
Antracendione OR Aromatic amine OR Aryl OR Overlapping groups OR Phenol
by Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
OR Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon
[-CH3] OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic
Carbon [C] OR Carbonyl, olefinic attach [-C(=O)-] OR Diarylketone OR
Hydroxy, aromatic attach [-OH] OR Ketone in a ring, olefinic aromatic
attach OR Miscellaneous sulfide (=S) or oxide (=O) OR Nitrogen, two or
tree olefinic attach [>N-] OR Olefinic carbon [=CH- or =C<] OR
Ortho-hydroxy to misc. -CO- OR Oxygen, one aromatic attach [-O-] by
Organic functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3 ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> Furamates (MA) by Protein binding potency
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Anthracenone/
Antracendione AND Aromatic amine AND Aryl AND Overlapping groups AND
Phenol by Organic Functional groups (nested) ONLY
Domain
logical expression index: "j"
Similarity
boundary:Target:
CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c3c2C(=O)c2c(O)ccc(O)c2C3=O)cc1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 9.09
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 13.9
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization:
Various studies has been investigated for the test chemical1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (CAS no. 28198 -05 -2)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs for target chemical1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (CAS no. 28198 -05 -2) and its structurally similar read across substances4,4'-Methylenebis(2,6-di-tert-butylphenol)(CAS no: 118-82-1) and 4-octyl-N-(4-octylphenyl)aniline (CAS no: 101-67-7).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
The skin sensitization potential of 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. 1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone was predicted to be non sensitizing to the skin of female CBA/Ca mice.
The MAK Collection for Occupational Health and Safety (2014) conducted a maximization test of Magnusson and Kligman for structurally similar read across substance4,4'-Methylenebis(2,6-di-tert-butylphenol)(CAS no: 118-82-1) on ten male and female Dunkin-Hartley guinea pigs. Intradermal Induction was carried out with 0.5% of 4,4'-methylenebis (2,6-di-tert-butylphenol), and Freund's adjuvant and the epidermal induction was performed one week later at 50% of 4 , 4'-methylenebis (2,6-di-tert-butylphenol) in vaseline. After the non treatment period of 2 weeks, animals were challenged at the same concentration used during epidermal induction (50% in vaseline). None of the treated guinea pigs showed positive response at 24, 48 or 72 hours. Therefore the chemical 4,4'-Methylenebis(2,6-di-tert-butylphenol)(CAS no: 118-82-1) was considered to be not sensitizing onDunkin-Hartley guineapigs’ skin.
The above results were supported by modified Landsteiner testperformed bythe MAK Collection for Occupational Health and Safety (2012)forstructurally similar read across substance4-octyl-N-(4-octylphenyl)aniline (CAS no: 101-67-7) on guinea pigs’ skin . Negative skin effects were observed when the guinea pigs were exposed to the chemical 4-octyl-N-(4-octylphenyl)aniline. Hence under the test condition, the chemical 4-octyl-N-(4-octylphenyl)aniline (CAS no: 101-67-7) was considered to be not sensitizing on skin of guinea pigs.
Based on the available data for the target and read across substances and applying the weight of evidence approach,it can be concluded thatchemical 1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (CAS no. 28198 -05 -2) is unable to cause contact sensitization and considered as not sensitizing .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 1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (CAS no. 28198 -05 -2) and its structurally similar read across substances 4,4'-Methylenebis(2,6-di-tert-butylphenol)(CAS no: 118-82-1) and 4-octyl-N-(4-octylphenyl)aniline (CAS no: 101-67-7) were observed in various studies. From the results obtained from these studies it is concluded that the chemical 1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (CAS no. 28198 -05 -2) is not likely to cause skin sensitization and hence can be classified as non skin sensitizer.
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