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EC number: 282-941-9 | CAS number: 84473-86-9
- Life Cycle description
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- Endpoint summary
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- 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
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- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
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- Additional toxicological data

Endpoint summary
Administrative data
Description of key information
The skin sensitization potential of3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig.
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: As mentioned below
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3, 2017
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- No data available
- Specific details on test material used for the study:
- - Name of test material : 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt
- Molecular formula : C20H4Br4Cl4O5.xAl
- Molecular weight : 2387.0295 g/mol
- Smiles notation : c1c2c(c(c(c1Br)O)Br)Oc3c(cc(c(c3Br)O)Br)C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)[O-].c1c2c(c(c(c1Br)O)Br)Oc3c(cc(c(c3Br)O)Br)C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)[O-].c1c2c(c(c(c1Br)O)Br)Oc3c(cc(c(c3Br)O)Br)C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)[O-].[Al+3]
- InChl: 1S/3C20H6Br4Cl4O5.Al/c3*21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;/h3*1-2,7,29-30H,(H,31,32);/q;;;+3/p-3
- Substance type:Organic
- Physical state:Solid - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- female
- Details on test animals and environmental conditions:
- No data available
- No. of animals per dose:
- 10
- Details on study design:
- No data available
- Challenge controls:
- No data available
- Positive control substance(s):
- not specified
- Statistics:
- No data available
- Positive control results:
- No data available
- Reading:
- 1st reading
- Group:
- test chemical
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Clinical observations:
- No skin sensitization reaction was noted
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- Not sensitizing
- Interpretation of results:
- other: Not sensitizing
- Conclusions:
- The skin sensitization potential of 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt (84473-86-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig.
- Executive summary:
The skin sensitization potential of3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and (
not "n")
)
)
and "o" )
and "p" )
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and "y" )
and "z" )
and ("aa"
and (
not "ab")
)
)
and ("ac"
and "ad" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aluminum Compounds AND Not
categorized by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aromatic perhalogencarbons OR
Aryl OR Aryl halide OR Carboxylic acid OR Fused carbocyclic aromatic OR
Fused saturated heterocycles OR No functional group found OR Phenol OR
Xanthene by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aromatic perhalogencarbons OR
Aryl halide OR Carboxylic acid OR No functional group found OR
Overlapping groups OR Phenol OR Xanthene by Organic Functional groups
(nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acid, aromatic attach [-COOH] OR
Alcohol, olefinic attach [-OH] OR Aliphatic Carbon [CH] OR Aliphatic
Carbon, two phenyl attach [-C-] OR Aliphatic Oxygen, two aromatic
attach [-O-] OR Aluminium [Al] OR Aromatic Carbon [C] OR Bromine,
aromatic attach [-Br] OR Bromine, olefinic attach [-Br] OR Carbonyl,
olefinic attach [-C(=O)-] OR Carbonyl, one aromatic attach [-C(=O)-] OR
Chlorine, aromatic attach [-Cl] OR Chlorine, olefinic attach [-Cl] OR
Hydroxy, aromatic attach [-OH] OR Miscellaneous sulfide (=S) or oxide
(=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen, one aromatic attach
[-O-] OR Oxygen, two olefinic attach [-O-] OR Tertiary Carbon by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aromatic compound OR Aryl
bromide OR Aryl chloride OR Aryl halide OR Carbonic acid derivative OR
Carboxylic acid OR Carboxylic acid derivative OR Diarylether OR Ether OR
Halogen derivative OR Heterocyclic compound OR Hydroxy compound OR No
functional group found OR Phenol 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 by DNA binding by
OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Michael-type addition, quinoid
structures >> Quinones OR AN2 >> Carbamoylation after isocyanate
formation OR AN2 >> Carbamoylation after isocyanate formation >>
N-Hydroxylamines OR AN2 >> Nucleophilic addition to alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to
alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated
Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base
formation >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base
formation >> Dicarbonyl compounds OR AN2 >> Shiff base formation after
aldehyde release OR AN2 >> Shiff base formation after aldehyde release
>> Specific Acetate Esters OR AN2 >> Thioacylation via nucleophilic
addition after cysteine-mediated thioketene formation OR AN2 >>
Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation >> Haloalkenes with Electron-Withdrawing Groups OR
Michael addition OR Michael addition >> Quinone type compounds OR
Michael addition >> Quinone type compounds >> Quinone methides OR
Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide Side Chain OR Non-covalent interaction >>
DNA intercalation >> Quinones OR Non-specific OR Non-specific >>
Incorporation into DNA/RNA, due to structural analogy with nucleoside
bases OR Non-specific >> Incorporation into DNA/RNA, due to
structural analogy with nucleoside bases >> Specific Imine and
Thione Derivatives OR Radical OR Radical >> Generation of reactive
oxygen species OR Radical >> Generation of reactive oxygen species >>
Thiols OR Radical >> Radical mechanism by ROS formation (indirect) or
direct radical attack on DNA OR Radical >> Radical mechanism by ROS
formation (indirect) or direct radical attack on DNA >> Organic Peroxy
Compounds OR Radical >> Radical mechanism via ROS formation (indirect)
OR Radical >> Radical mechanism via ROS formation (indirect) >>
N-Hydroxylamines OR Radical >> Radical mechanism via ROS formation
(indirect) >> Quinones OR Radical >> Radical mechanism via ROS formation
(indirect) >> Specific Imine and Thione Derivatives OR Radical >> ROS
formation after GSH depletion OR Radical >> ROS formation after GSH
depletion (indirect) OR Radical >> ROS formation after GSH depletion
(indirect) >> Quinoneimines OR Radical >> ROS formation after GSH
depletion >> Quinone methides OR SN1 OR SN1 >> Alkylation after
metabolically formed carbenium ion species OR SN1 >> Alkylation after
metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN1 >> Nucleophilic attack after carbenium
ion formation OR SN1 >> Nucleophilic attack after carbenium ion
formation >> Specific Acetate Esters OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> N-Hydroxylamines OR SN1 >>
Nucleophilic substitution on diazonium ions OR SN1 >> Nucleophilic
substitution on diazonium ions >> Specific Imine and Thione Derivatives
OR SN2 OR SN2 >> Acylation OR SN2 >> Acylation >> Specific Acetate
Esters OR SN2 >> Alkylation, direct acting epoxides and related OR SN2
>> Alkylation, direct acting epoxides and related >> Epoxides and
Aziridines OR SN2 >> Alkylation, direct acting epoxides and related
after P450-mediated metabolic activation OR SN2 >> Alkylation, direct
acting epoxides and related after P450-mediated metabolic activation >>
Haloalkenes with Electron-Withdrawing Groups OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation >> Polycyclic Aromatic Hydrocarbon Derivatives OR SN2 >>
Direct acting epoxides formed after metabolic activation OR SN2 >>
Direct acting epoxides formed after metabolic activation >> Quinoline
Derivatives OR SN2 >> Direct acylation involving a leaving group OR SN2
>> Direct acylation involving a leaving group >> Acyl Halides OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> SN2
at an activated carbon atom OR SN2 >> SN2 at an activated carbon atom >>
Quinoline Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides
OR Michael addition OR Michael addition >> P450 Mediated Activation of
Heterocyclic Ring Systems OR Michael addition >> P450 Mediated
Activation of Heterocyclic Ring Systems >> Furans 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 Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR
Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Hydroquinones OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic
(PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR
Michael addition >> Polarised Alkenes-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated amides OR Michael addition >> Polarised Alkenes-Michael
addition >> Alpha, beta- unsaturated esters OR Michael addition >>
Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones
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 >> Unsaturated heterocyclic azo by DNA binding by OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found AND SNAr AND SNAr
>> Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds AND SNAr >> Nucleophilic aromatic substitution on activated
aryl and heteroaryl compounds >> Activated aryl and heteroaryl compounds
by Protein binding by OASIS v1.3
Domain
logical expression index: "k"
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 >> (Thio)Acyl and (thio)carbamoyl halides and
cyanides OR Acylation >> Direct acylation involving a leaving group >>
Anhydrides (sulphur analogues of anhydrides) OR Acylation >> Direct
acylation involving a leaving group >> Azlactones and unsaturated
lactone derivatives OR Acylation >> Ester aminolysis OR Acylation >>
Ester aminolysis >> Amides OR Michael Addition OR Michael Addition >>
Michael addition on conjugated systems with electron withdrawing group
OR Michael Addition >> Michael addition on conjugated systems with
electron withdrawing group >> alpha,beta-Carbonyl compounds with
polarized double bonds OR Michael Addition >> Michael addition on
conjugated systems with electron withdrawing group >> Conjugated systems
with electron withdrawing groups OR Michael Addition >> Michael
addition on conjugated systems with electron withdrawing group >>
Cyanoalkenes OR Michael Addition >> Polarised Alkenes OR Michael
Addition >> Polarised Alkenes >> Polarised Alkene - alkenyl pyridines,
pyrazines, pyrimidines or triazines OR Michael Addition >> Quinoide
type compounds OR Michael Addition >> Quinoide type compounds >> Quinone
methide(s)/imines; Quinoide oxime structure; Nitroquinones,
Naphthoquinone(s)/imines OR Nucleophilic addition OR Nucleophilic
addition >> Addition to carbon-hetero double bonds OR Nucleophilic
addition >> Addition to carbon-hetero double bonds >> Ketones OR Radical
reactions OR Radical reactions >> Free radical formation OR Radical
reactions >> Free radical formation >> Hydroperoxides OR Schiff base
formation OR Schiff base formation >> Benzoyl Schiff base formation OR
Schiff base formation >> Benzoyl Schiff base formation >> Benzoyl
phosphine oxides OR Schiff base formation >> Pyrazolones and
Pyrazolidinones derivatives OR Schiff base formation >> Pyrazolones and
Pyrazolidinones derivatives >> Pyrazolones and Pyrazolidinones OR
Schiff base formation >> Schiff base formation with carbonyl compounds
OR Schiff base formation >> Schiff base formation with carbonyl
compounds >> Aldehydes by Protein binding by OASIS v1.3
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition to quinoid structures OR AN2 >> Michael-type addition to
quinoid structures >> Phenols OR AN2 >> Nucleophilic addition to
pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles OR
AN2 >> Nucleophilic addition to pyridonimine tautomer of
aminopyridoindoles or aminopyridoimidazoles >> Heterocyclic Aromatic
Amines OR Radical mechanism OR Radical mechanism >> ROS generation and
direct attack of hydroxyl radical to the C8 position of nucleoside base
OR Radical mechanism >> ROS generation and direct attack of hydroxyl
radical to the C8 position of nucleoside base >> Heterocyclic Aromatic
Amines OR SE reaction (CYP450-activated heterocyclic amines) OR SE
reaction (CYP450-activated heterocyclic amines) >> Direct attack of
arylnitrenium cation to the C8 position of nucleoside base OR SE
reaction (CYP450-activated heterocyclic amines) >> Direct attack of
arylnitrenium cation to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines OR SR reaction (peroxidase-activated
heterocyclic amines) OR SR reaction (peroxidase-activated heterocyclic
amines) >> Direct attack of arylnitrenium radical to the C8 position of
nucleoside base OR SR reaction (peroxidase-activated heterocyclic
amines) >> Direct attack of arylnitrenium radical to the C8 position of
nucleoside base >> Heterocyclic Aromatic Amines by Protein binding
alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Bioavailable AND Not
bioavailable by Lipinski Rule Oasis ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aromatic perhalogencarbons AND
Aryl AND Aryl halide AND Carboxylic acid AND Fused carbocyclic aromatic
AND Fused saturated heterocycles AND No functional group found AND
Phenol AND Xanthene by Organic Functional groups ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Aliphatic nitriles
(Hepatotoxicity) Rank B OR Chlorphentermine (Hepatotoxicity) Alert OR
Halobenzenes (Hepatotoxicity) Rank A OR Halobenzenes (Renal toxicity)
Rank A OR Nitrophenols/ Halophenols (Energy metabolism dysfuntion) Rank
B OR Oxyphenistain (Hepatotoxicity) Alert OR Valproic acid
(Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Exclusion rules not met AND Group All log Kow
> 9 AND Group All Melting Point > 200 C AND Group CHal log Kow > 4.5 AND
Group CHal Melting Point > 65 C AND Group CHal Molecular Weight > 280
g/mol AND Group CHal Molecular Weight > 370 g/mol by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Group All log Kow < -3.1 by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as No alert found by
Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Metals, oxidative stress
(Nongenotox) OR Structural alert for nongenotoxic carcinogenicity OR
Substituted n-alkylcarboxylic acids (Nongenotox) by Carcinogenicity
(genotox and nongenotox) alerts by ISS
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aromatic acid [-C(=O)-OH] AND
Aromatic alcohol [-OH] AND Aromatic bromide [-Br] AND Aromatic
chloride [-CL] AND Aromatic ether [-O-aromatic carbon] AND
Aromatic-CH AND Aromatic-H AND Not calculated by Biodegradation
fragments (BioWIN MITI)
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aliphatic acid [-C(=O)-OH] OR
Aromatic-CH2 OR -CH2- [linear] OR Fluorine [-F] OR Methyl [-CH3] OR
Quaternary amine OR Tin [Sn] by Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Mixture by Substance Type ONLY
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Mixture by Substance Type ONLY
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Aluminum Compounds AND Not
categorized by US-EPA New Chemical Categories
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Boron Compounds OR Lanthanides
or Rare Earth Metals OR Nickel Compounds OR Phosphates, Inorganic OR
Soluble complexes of Zinc by US-EPA New Chemical Categories
Domain
logical expression index: "ac"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.23
Domain
logical expression index: "ad"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 6.23
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
- Additional information:
Skin sensitisation
In different studies, 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) has been investigated for potential of skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pig for target chemical, 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) and its structurally similar read across substancesDiantimony Trioxide (1309-64-4) and vanadium trioxide (1314-34-7) the predicted data using the OECD QSAR toolbox has also been compared with the experimental data of read across.
The skin sensitization potential of 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, aluminium salt was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig.
Also it is further supported by experimental study conducted byEuropean Chemicals Agency (ECHA)(European Union Risk Assessment Report - Diantimony Trioxide, may 2008) to evaluate the skin sensitizing potential of read across substance Diantimony Trioxide (1309-64-4).The skin sensitization study of Diantimony Trioxide (1309-64-4) was performed by Magnusson and Kligman methodin20guinea pigs. An additional 10 animals served as the control group. A preliminary study with 8 animals was performed to determine the appropriate dose level for intracutaneous and topical administration. In induction phase,3 pairs of intradermal injections (0.1 ml each); 1) a 1:1 mixture (v/v) of Freund’s complete adjuvant (FCA):0.9 % NaCl. 2) 10 % suspension of diantimony trioxide in water and 3) a 1:1 mixture (v/v) of diantimony trioxide suspension: FCA/ 0.9 % NaCl resulting in a final concentration of diantimony trioxide of 10 % were given in shoulder region. After 6 day, the exposed skin was coated with 0.5 ml sodium lauryl sulphate 10 % in Vaseline in order to induce a local irritation then second induction using 50% concentration in water as suspension applied as patch for 48hr in same site as shoulder region. In challenge phase, after 21 days on left flank region 50% suspension of test material in water was applied as patch for 24hr. After 21hr treated skin cleaned and evaluated for skin sensitization reaction. No indication of skin sensitization was observed. Hence it is considered that Diantimony Trioxide (1309-64-4) was not skin sensitizing in guinea pig by Magnusson and Kligman method.
Also it is further supported by experimental study conducted by US national Library of Medicine (HSDB (Hazardous Substances Data Bank); US national Library of Medicine reviewed by SRC, 2017) to evaluate the skin sensitizing potential of read across substance vanadium trioxide (1314-34-7). The vanadium trioxide (1314-34-7) was considered to be not sensitizing to guinea pig.
Thus based on the above predictions on, 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) as well as its read across and applying weight of evidence, it can be concluded that , 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) is not a skin sensitizer. Thus comparing the above studies with the criteria of CLP regulation, , 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) can be considered as not classified for skin sensitization.
Justification for classification or non-classification
Thus comparing the above studies with the criteria of CLP regulation, , 3,4,5,6-tetrachloro-2-(2,4,5,7-tetrabromo-3,6-dihydroxyxanthen-9-yl) benzoic acid, aluminium salt (84473-86-9) can be considered as not classified for skin sensitization.
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