Registration Dossier
Registration Dossier
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EC number: 240-005-7 | CAS number: 15876-39-8
Endpoint summary
Administrative data
Key value for chemical safety assessment
- Toxic effect type:
- dose-dependent
Effects on fertility
Description of key information
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the reproductive toxicity was estimated for Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8).NOAEL was estimated to be 579mg/kg bw/day when male and female Crj: CD(SD) rats were exposed with Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8)by orally.
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 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
- Limit test:
- no
- Justification for study design:
- No data available
- Specific details on test material used for the study:
- - Name of test material (as cited in study report):Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate]
- Molecular formula :C20H8Br4O5.2/3Al
- Molecular weight :1991.5992 g/mol
- InChl :1S/3C20H8Br4O5.2Al/c3*21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h3*1-6,25-26H;;/q;;;2*+3/p-6
- Substance type:Organic
- Physical state:Solid - Species:
- rat
- Strain:
- Crj: CD(SD)
- Details on species / strain selection:
- No data available
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data available
- Route of administration:
- oral: gavage
- Vehicle:
- other: in 5% gum arabic
- Details on exposure:
- No data available
- Details on mating procedure:
- No data available
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- No data available
- Duration of treatment / exposure:
- male: 50-52 d, female: 40-48 d (from 14 days before mating to the day 3 of lactation)
- Frequency of treatment:
daily- Details on study schedule:
- No data available
- Dose / conc.:
- 579 mg/kg bw/day
- No. of animals per sex per dose:
- 12/sex
- Control animals:
- yes, concurrent vehicle
- not specified
- Details on study design:
- No data available
- Positive control:
- No data available
- Parental animals: Observations and examinations:
- No data available
- Oestrous cyclicity (parental animals):
- No data available
- Sperm parameters (parental animals):
- No data available
- Litter observations:
- No data available
- Postmortem examinations (parental animals):
- No data available
- Postmortem examinations (offspring):
- No data available
- Statistics:
- No data available
- Reproductive indices:
- No data available
- Offspring viability indices:
- No data available
- Clinical signs:
- not specified
- Dermal irritation (if dermal study):
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- 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:
- not specified
- Reproductive function: sperm measures:
- not specified
- Reproductive performance:
- no effects observed
- Dose descriptor:
- NOAEL
- Effect level:
- 579 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- body weight and weight gain
- food consumption and compound intake
- reproductive performance
- other: No effect observe
- Remarks on result:
- other: No effect observed
- Critical effects observed:
- 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:
- no effects observed
- 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:
- no effects observed
- Other effects:
- not specified
- Behaviour (functional findings):
- not specified
- Developmental immunotoxicity:
- not specified
- Dose descriptor:
- NOAEL
- Generation:
- F1
- Effect level:
- 579 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- clinical biochemistry
- histopathology: neoplastic
- 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 579mg/kg bw/day .When male and female Crj: CD(SD) rats were exposed with Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8) orally.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the reproductive toxicity was estimated for Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8).No effect on food consumption ,body weight and reproductive function were observed in dams. Hence ,NOAEL was estimated to be 579mg/kg bw/day, when male and female Crj: CD(SD) rats were exposed with Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8) orally.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
Estimation method: Takes average value from the 6 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 ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and "r" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Phenols (Chronic toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl OR Aryl halide OR
Carboxylic acid OR Fused carbocyclic aromatic OR Fused saturated
heterocycles OR Phenol OR Xanthene by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aryl OR Aryl halide OR
Carboxylic acid 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 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 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 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 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 >> Shiff base
formation after aldehyde release OR AN2 >> Shiff base formation after
aldehyde release >> Specific Acetate Esters OR Radical 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 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 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 >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN2 >> Nucleophilic substitution at sp3
Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >>
Specific Acetate Esters by DNA binding by OASIS v.1.3
Domain
logical expression index: "h"
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: "i"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> alpha,beta-carbonyl compounds with polarized multiple bonds OR High
reactive >> Unsaturated acid anhydrides OR Moderate reactive OR Moderate
reactive >> Mono-methacrylic acid esters by DPRA Cysteine peptide
depletion
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Metalloids by Groups of elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O AND Group 17 - Halogens Br AND Group 17 - Halogens
F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Group 15 - Nitrogen N by
Chemical elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as No alert found by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alkylphenols OR Multi Cyclic
Hydrocarbons by rtER Expert System ver.1 - USEPA
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 5.03
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 9.91
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 579 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- Data is Klimicsh 2 and from QSAR Toolbox 3.3. (2017)
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, Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8)has been investigated for reproductive toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments i.e. most commonly in rats for Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8).
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the reproductive toxicity was estimated for Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8).NOAEL was estimated to be 579mg/kg bw/day when male and female Crj: CD(SD) rats were exposed with Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8)by orally.
In experimental study given by Pierce EC; Agersborg Hk Jr; Borzelleca Jf; Burnett CM; Eagle E; Ebert Ag; Kirschman JC; Scala RA (TOXICOL APPL PHARMACOL 29:121-122, 1974) Multi-generation reproduction studies with D & C Red no. 27 (13473-26-2) were performed in rats. Test material in dose concentration not excess 1000mg/kg was given in diet. Dose was calculated on the bases of previous long term feeding study in rats and dog. Data through the F2b Litter give no indication of adverse effects on reproductive performance. Hence NOAEL was considered to be 1000mg/kg bw. When Multi-generation reproduction studies with D & C Red no.27 were performed in rats orally.
It is further supported by experimental study given by M. SENO, S. FUKUDA and H. UMISA (Fd Chem. Toxic. Vol. 22, No. 1 pp. 55-60, 1984)In a one generation Teratogenicity study, Jcl:ICR female mice treated with Phloxine B in the concentration of 0, 2000,6000 and 10000 mg/kg/day (0, 1.0, 3.0 and 5.0 %)from the morning of day 6 through day 16 of pregnancy by oral feed.2 dams died on days 16 and 17. Another female in this group aborted on day 17.Significantly decreased in maternal body-weight gains for days 6-16 of gestation were observed in 2000, 6000 and 10,000 mg/kg bw/day treated dams as compared to control. Similarly, the numbers of corpora lutea, implantations or live foetuses in all of the treated groups were slightly decreased, but not significantly in comparison with those of the control. Absolute and relative liver weight was significantly increased in 2000 mg/kg bw/day dose group as compared to control in F0 generation. In addition, Foetuses with open eyelids were observed in all treated dams. Significantly increased incidence of cleft palate and Significantly decreased numbers of ossified caudal vertebrae and phalanges, slightly reduced incidence of accessory sternebrae and significantly increased numbers of foetuses with a fourteenth rib or with an extra rib (at least one fourteenth rib that was half or greater than half the length of the preceding rib) were observed in 10,000 mg/kgbw/day treated fetuses as compared to control. Slight retardation of ossification was observed in 6000 mg/kgbw/day treated fetuses as compared to control. Splitting of the cervical vertebral arches was observed in 1000 mg/kg bw/day treated fetouses as compared to control. Hence, dose response was seen in the total incidence of skeletal abnormalities, suggested a teratogenic effect. Therefore, NOAEL was considered to be 2000 mg/kg body weight/day (1%) for F0 generation and LOAEL was considered to be 2000 mg/kg body weight/day (1%) for F1 generation when Jcl:ICR female mice were treated with Phloxine B orally by feed from day 6 to 16 of gestation.
Based on the above study it can be concluded that NOAEL value was considered to be 579mg/kg /day , whenDi aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8) was given orally.
Effects on developmental toxicity
Description of key information
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the developmental toxicity was estimated forDi aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8).NOAEL was estimated to be 931.5mg/kg bw/day. When male and femaleSprague-Dawleyrats wereexposed withDi aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8)by orally.
Link to relevant study records
- Endpoint:
- developmental toxicity
- 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:
- equivalent or similar 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
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report):Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate]
- Molecular formula :C20H8Br4O5.2/3Al
- Molecular weight :1991.5992 g/mol
- InChl :1S/3C20H8Br4O5.2Al/c3*21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h3*1-6,25-26H;;/q;;;2*+3/p-6
- Substance type:Organic
- Physical state:Solid - Species:
- rat
- Strain:
- Sprague-Dawley
- Details on test animals or test system and environmental conditions:
- No data available
- Route of administration:
- oral: gavage
- Vehicle:
- other: Mazola Oil
- Details on exposure:
- No data available
- Analytical verification of doses or concentrations:
- not specified
- Details on mating procedure:
- No data available
- Duration of treatment / exposure:
- 2 weeks of prebreed exposure (males and females), 2 weeks of mating (males and females), and 3 weeks of gestation and lactation each (F0 females) for F0 parents, and direct dosing of selected F1 offspring from weaning through scheduled sacrifice, at least 7 weeks postweaning.
- Frequency of treatment:
once daily, 7 days per week- Duration of test:
- No data available
- Dose / conc.:
- 931.5 mg/kg bw/day
- No. of animals per sex per dose:
- 10/sex
- Control animals:
- yes
- Details on study design:
- No data available
- Maternal examinations:
- No data available
- Ovaries and uterine content:
- No data available
- Fetal examinations:
- No data available
- Statistics:
- No data available
- Indices:
- No data available
- Historical control data:
- No data available
- Clinical signs:
- not specified
- Dermal irritation (if dermal study):
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- 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
- Gross pathological findings:
- not specified
- Neuropathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
- Number of abortions:
- not specified
- Pre- and post-implantation loss:
- not specified
- Total litter losses by resorption:
- not specified
- Early or late resorptions:
- not specified
- Dead fetuses:
- not specified
- Changes in pregnancy duration:
- not specified
- Description (incidence and severity):
- Migrated Data from removed field(s)
Field "Effects on pregnancy duration" (Path: ENDPOINT_STUDY_RECORD.DevelopmentalToxicityTeratogenicity.ResultsAndDiscussion.ResultsMaternalAnimals.MaternalDevelopmentalToxicity.EffectsOnPregnancyDuration): not specified - Changes in number of pregnant:
- not specified
- Other effects:
- not specified
- Dose descriptor:
- NOAEL
- Effect level:
- 931.5 mg/kg bw/day
- Based on:
- test mat.
- Basis for effect level:
- body weight and weight gain
- food consumption and compound intake
- Abnormalities:
- not specified
- Fetal body weight changes:
- not specified
- Description (incidence and severity):
- Migrated Data from removed field(s)
Field "Fetal/pup body weight changes" (Path: ENDPOINT_STUDY_RECORD.DevelopmentalToxicityTeratogenicity.ResultsAndDiscussion.ResultsFetuses.FetalPupBodyWeightChanges): not specified - Reduction in number of live offspring:
- not specified
- Changes in sex ratio:
- not specified
- Changes in litter size and weights:
- not specified
- Changes in postnatal survival:
- not specified
- External malformations:
- not specified
- Skeletal malformations:
- no effects observed
- Visceral malformations:
- not specified
- Other effects:
- not specified
- Dose descriptor:
- NOAEL
- Effect level:
- 931.5 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- skeletal malformations
- Abnormalities:
- not specified
- Developmental effects observed:
- no
- Lowest effective dose / conc.:
- 931.5 mg/kg bw/day
- Treatment related:
- not specified
- Relation to maternal toxicity:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
- Conclusions:
- NOAEL was estimated to be 931.5mg/kg bw/day. When male and female Sprague-Dawley rats were exposed with Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8) by orally.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the developmental toxicity was estimated for Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8). No effect observed on body weight gain and food consumption.Hence ,NOAEL was estimated to be 931.5mg/kg bw/day. When male and femaleSprague-Dawleyrats wereexposed withDi aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8)by orally.
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 (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and "o" )
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Phenols (Chronic toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl OR Aryl halide OR
Carboxylic acid OR Fused carbocyclic aromatic OR Fused saturated
heterocycles OR Phenol OR Xanthene by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aryl OR Aryl halide OR
Carboxylic acid 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 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 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 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 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 >> 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 Radical
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 SN1 OR SN1 >> Alkylation after metabolically formed carbenium ion
species OR SN1 >> Alkylation after metabolically formed carbenium ion
species >> Polycyclic Aromatic Hydrocarbon Derivatives OR SN2 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 >> Polycyclic Aromatic
Hydrocarbon 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 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 Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes 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 by DNA binding by OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as 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 >> Cyanoalkenes OR
SNAr OR SNAr >> Nucleophilic aromatic substitution on activated aryl and
heteroaryl compounds OR 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: "l"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "m"
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 >> Acetates by Protein binding by OECD
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 5.26
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 20.1
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 931.5 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- Data is Klimicsh 2 and from QSAR Toolbox 3.3. (2017)
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Additional information
Developmental toxicity via oral route
In different studies, Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8)has been investigated for developmental toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments i.e. most commonly in rats for Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8).
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the developmental toxicity was estimated forDi aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8).NOAEL was estimated to be 931.5mg/kg bw/day. When male and female Sprague-Dawley rats were exposed with Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8)by orally.
It is further supported by experimental study given by M. SENO, S. FUKUDA and H. UMISA (Fd Chem. Toxic. Vol. 22, No. 1 pp. 55-60, 1984)In a one generation Teratogenicity study, Jcl:ICR female mice treated with Phloxine B in the concentration of 0, 2000,6000 and 10000 mg/kg/day (0, 1.0, 3.0 and 5.0 %)from the morning of day 6 through day 16 of pregnancy by oral feed.2 dams died on days 16 and 17. Another female in this group aborted on day 17.Significantly decreased in maternal body-weight gains for days 6-16 of gestation were observed in 2000, 6000 and 10,000 mg/kg bw/day treated dams as compared to control. Similarly, the numbers of corpora lutea, implantations or live foetuses in all of the treated groups were slightly decreased, but not significantly in comparison with those of the control. Absolute and relative liver weight was significantly increased in 2000 mg/kg bw/day dose group as compared to control in F0 generation. In addition, Foetuses with open eyelids were observed in all treated dams. Significantly increased incidence of cleft palate and Significantly decreased numbers of ossified caudal vertebrae and phalanges, slightly reduced incidence of accessory sternebrae and significantly increased numbers of foetuses with a fourteenth rib or with an extra rib (at least one fourteenth rib that was half or greater than half the length of the preceding rib) were observed in 10,000 mg/kgbw/day treated fetuses as compared to control. Slight retardation of ossification was observed in 6000 mg/kgbw/day treated fetuses as compared to control. Splitting of the cervical vertebral arches was observed in 1000 mg/kg bw/day treated fetouses as compared to control. Hence, dose response was seen in the total incidence of skeletal abnormalities, suggested a teratogenic effect. Therefore, NOAEL was considered to be 2000 mg/kg body weight/day (1%) for F0 generation and LOAEL was considered to be 2000 mg/kg body weight/day (1%) for F1 generation when Jcl:ICR female mice were treated with Phloxine B orally by feed from day 6 to 16 of gestation.
Based on the above study it can be concluded that NOAEL value was considered to be 931mg/kg /day , when Di aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8) was given orally.
Justification for classification or non-classification
Based on the above study it can be concluded that NOAEL value was considered to be 931mg/kg /day ,whenDi aluminium tris [2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate] (15876-39-8) was given orally.Hence it will not classified for reproductive and developmental toxicity
Additional information
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