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EC number: 205-371-4 | CAS number: 139-66-2
- 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 target chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS No: 6737-68-4) was assessedin various experimental studies which were conducted on guinea for target chemical1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS No: 6737-68-4) andits structurally similar read across substancesDisperse violet 4 (CAS No:1220-94-6)andSudan III (CAS No: 85-86-9). The predicted data usingQSAR toolboxhas also been compared with the experimental data.Based on the available data for the target and read across substances and applying the weight of evidence approach, it can be concluded that chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS No: 6737-68-4) is unable to cause skin sensitization and thus can be considered as not sensitizing. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
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 version 3.3 and the supporting QMRF report has been attached.
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with respect to the descriptor log Kow.
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- Name of test material (as cited in study report): Diphenyl sulphide
Molecular formula:C12H10S
Molecular weight:186.277 g/mol
Substance Type: Organic
Physical State: Liquid - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- female
- Details on test animals and environmental conditions:
- No data available
- Route:
- intradermal and epicutaneous
- Vehicle:
- not specified
- Concentration / amount:
- No data
- Day(s)/duration:
- No data
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Concentration / amount:
- no data
- Day(s)/duration:
- 48 hours
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 20 females
- Details on study design:
- no data available
- Challenge controls:
- no data available
- Positive control substance(s):
- not specified
- Reading:
- 1st reading
- Hours after challenge:
- 48
- Group:
- test chemical
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Clinical observations:
- No reactions was observed.
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitizing
- Conclusions:
- The substance, Diphenyl sulphide (CAS No. 139-66-2) was predicted to be non sensitising to the skin of guinea pigs.
- Executive summary:
The skin sensitization potential of Diphenyl sulphide (CAS No. 139 -66 -2) was estimated by using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the five closest read across substances. No skin reactions indicative of sensitisation were predicted. Thus, the substance Diphenyl sulphide (CAS No. 139-66-2) was predicted to be non sensitizing to the skin of guinea pigs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes 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 (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl AND Sulfide by Organic
Functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl AND Overlapping groups AND
Sulfide by Organic Functional groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Sulfur, two aromatic
attach AND Aromatic Carbon [C] AND Olefinic carbon [=CH- or =C<] by
Organic functional groups (US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND Thioether
by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
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 >> Alkyl phenols OR SN1 OR SN1 >> Iminium Ion
Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >>
Aromatic azo OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> Activated haloarenes by DPRA Cysteine peptide depletion
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or 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 Very strong binder, OH group by Estrogen
Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
acylation involving a leaving group OR Acylation >> Direct acylation
involving a leaving group >> Carbamates OR Acylation >> Ester
aminolysis OR Acylation >> Ester aminolysis >> Dithiocarbamates by
Protein binding by OASIS v1.3
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.32
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.79
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Various studieshas been investigated for the test chemicalDiphenyl sulphide (CAS No. 139 -66 -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 and humans for target chemicalDiphenyl sulphide (CAS No. 139 -66 -2) and its structurally similar read across substancesDiphenyl ether (CAS no:101-84-8), Biphenyl (CAS no: 92-52-4) and Dimethyl disulphide (CAS No. 624-92-0). 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 Diphenyl sulphide (CAS No. 139 -66 -2) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. Diphenyl sulphide (CAS No. 139 -66 -2) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result Diphenyl sulphide (CAS No. 139 -66 -2) can be considered to be not sensitizing to Dunkin-Hartley guinea pigs.
The International Programme on Chemical Safety (IPCS)-INCHEM {Biphenyl; Concise International Chemical Assessment Document 6; Joint FAO/WHO Expert Committee on Food Additives; 1999} conducted Guinea pig maximization test for chemical Biphenyl (CAS no: 92-52-4) in accordance with OECD Guideline 406. Since the chemical did not induce any signs of contact sensitization, Biphenyl (CAS no: 92-52-4) was considered to be not sensitizing to the guinea pigs’ skin.
The HSDB {U.S. National Library of Medicine National Institutes of Health, Health & Human Services; 2017} conducted a human maximization test was for Diphenyl ether (CAS no:101-84-8) under occlusive condition that supported the above mentioned result.The test material was mixed into petrolatum N.F. at 4% concentration and applied to the same forearm sites under occlusion for five alternate-day 48-hour periods. Each application of the test material was preceded by treatment of the patch site with 5% aqueous sodium lauryl sulfate under occlusion.Following a ten day rest period challenge patches of the test material were applied to fresh sites on the scapular backs under occlusion for 48 hours. The challenge sites were pretreated for one hour with 10% aqueous sodium lauryl sulfate. Clinical evaluations were made at 48 and 72 hours. Diphenyl oxide did not produce any cases of contact allergy. Therefore,Diphenyl ether (CAS no:101-84-8) was considered to be not sensitizing to the human skin in human maximization test.
The above results were further supported by the experimental study reported by U.S. Environmental Protection Agency {High Production Volume (HPV) Challenge Program; 2016} according to EPA-40 CFR 163-81-6 method on guinea pigs by Buehler test for read across chemical Dimethyl disulphide (CAS No. 624-92-0). 10 test group and 10 positive control groups were used in this study. In the preliminary screen, no erythema was observed at any of the concentrations of test material applied to the skin over a 48 hour period. The test material was therefore tested neat in the full scale sensitization study. After the initial and second challenge applications, the guinea pigs did not exhibit any erythema and were considered non - sensitized. Expected responses were noted in the positive control animals. The data validates the responsiveness of the guinea pigs to DNCB. Thus, from the study it can be concluded that Dimethyl disulphide (CAS No. 624-92-0) is not a skin sensitizer in the guinea pigs in Buehler test.
Thus on the basis of available data for thetarget chemicalDiphenyl sulphide (CAS No. 139 -66 -2) and its structurally similar read across substancesDiphenyl ether (CAS no:101-84-8), Biphenyl (CAS no: 92-52-4) and Dimethyl disulphide (CAS No. 624-92-0),it can be concluded thatchemical Diphenyl sulphide (CAS No. 139 -66 -2) 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 Diphenyl sulphide (CAS No. 139 -66 -2) and its structurally similar read across substancesDiphenyl ether (CAS no:101-84-8), Biphenyl (CAS no: 92-52-4) and Dimethyl disulphide (CAS No. 624-92-0) were observed in various studies. From the results obtained from these studies it is concluded that the chemical Diphenyl sulphide (CAS No. 139 -66 -2) is not likely to cause skin sensitization and hence can be classified as non-skin sensitizer.
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