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EC number: 232-318-2 | CAS number: 8003-22-3 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 47000.
- 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
Developmental toxicity / teratogenicity
Administrative data
- Endpoint:
- developmental toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from QSAR Toolbox Version 3.3
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- [R]: 99,2 mg/kg/day; Estimation for LOEL for CAS 8003-22-3
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 015
- Bibliographic source:
- SSS QSAR Prediction Team
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: The prediction is done using QSAR Toolbox version 3.3
- Principles of method if other than guideline:
- The prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- no
- Limit test:
- yes
Test material
- Reference substance name:
- 1,3-isobenzofurandione, reaction products with methylquinoline and quinoline
- EC Number:
- 232-318-2
- EC Name:
- 1,3-isobenzofurandione, reaction products with methylquinoline and quinoline
- Cas Number:
- 8003-22-3
- Molecular formula:
- C18H11NO2
- IUPAC Name:
- 2-(quinolin-2-yl)-2,3-dihydro-1H-indene-1,3-dione
- Details on test material:
- - Name of test material (as cited in study report): D&C Yellow No. 11
- Molecular formula (if other than submission substance): C18H11NO2
- Molecular weight (if other than submission substance): 273.29
- Substance type: Organic
- Physical state: Solid
- SMILES:O=C1C(c2ccc3ccccc3n2)C(=O)c2ccccc12
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: Sprague Dawley
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Details on exposure:
- No Data
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- No Data
- Details on mating procedure:
- No Data
- Duration of treatment / exposure:
- 21 days
- Frequency of treatment:
- Daily
- Duration of test:
- No Data
- No. of animals per sex per dose:
- No data available
- Details on study design:
- No data available
Examinations
- 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
Results and discussion
Results: maternal animals
Maternal developmental toxicity
- Details on maternal toxic effects:
- Maternal toxic effects:no data
Effect levels (maternal animals)
- Dose descriptor:
- other: not specified
- Based on:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Maternal abnormalities
- Abnormalities:
- not specified
- Localisation:
- not specified
- Description (incidence and severity):
- not specified
Results (fetuses)
- Details on embryotoxic / teratogenic effects:
- Embryotoxic / teratogenic effects:no data
Effect levels (fetuses)
- Dose descriptor:
- LOEL
- Effect level:
- 99.2 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: fetotoxicity
- Remarks on result:
- other: not specified
Fetal abnormalities
- Abnormalities:
- not specified
- Localisation:
- other: not specified
- Description (incidence and severity):
- not specified
Overall developmental toxicity
- Developmental effects observed:
- not specified
- Treatment related:
- not specified
- Relation to maternal toxicity:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: LOEL
Estimation method: Takes average 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"
or "h" or "i" or "j" )
and ("k"
and (
not "l")
)
)
and (("m"
or "n" or "o" or "p" )
and ("q"
and (
not "r")
)
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and "v" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl AND Diketone AND Fused
carbocyclic aromatic AND Fused heterocyclic aromatic AND Indandione AND
Pyridine AND Quinoline/ Isoquinoline by Organic Functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Fused carbocyclic aromatic AND
Indandione AND Overlapping groups AND Quinoline/ Isoquinoline by Organic
Functional groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aromatic Carbon [C] AND Aromatic Nitrogen AND Carbonyl, aliphatic attach
[-C(=O)-] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one
aromatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] AND Tertiary Carbon by Organic
functional groups (US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND Carbonyl
compound AND Ketone 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 Acylation OR Acylation >>
Isocyanates and Isothiocyanates OR Acylation >> Isocyanates and
Isothiocyanates >> Isothiocyanates OR Acylation >> P450 Mediated
Activation to Isocyanates or Isothiocyanates OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates >>
Benzylamines-Acylation OR Acylation >> P450 Mediated Activation to
Isocyanates or Isothiocyanates >> Formamides OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas
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 of Heterocyclic Ring Systems >>
Thiophenes-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 >> P450 Mediated
Activation to Quinones and Quinone-type Chemicals >> Hydroquinones OR
Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Methylenedioxyphenyl 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 Michael addition >> Quinones and Quinone-type Chemicals OR Michael
addition >> Quinones and Quinone-type Chemicals >> Quinones OR Schiff
base formers OR Schiff base formers >> Chemicals Activated by P450 to
Glyoxal OR Schiff base formers >> Chemicals Activated by P450 to
Glyoxal >> Ethanolamines (including morpholine) OR Schiff base formers
>> Chemicals Activated by P450 to Glyoxal >> Ethylenediamines
(including piperazine) OR Schiff base formers >> Chemicals Activated by
P450 to Mono-aldehydes OR Schiff base formers >> Chemicals Activated by
P450 to Mono-aldehydes >> Benzylamines-Schiff base OR Schiff base
formers >> Direct Acting Schiff Base Formers OR Schiff base formers >>
Direct Acting Schiff Base Formers >> Mono aldehydes OR SN1 OR SN1 >>
Carbenium Ion Formation OR SN1 >> Carbenium Ion Formation >> Allyl
benzenes OR SN1 >> Carbenium Ion Formation >> Diazoalkanes OR SN1 >>
Carbenium Ion Formation >> N-Nitroso (alkylation) OR SN1 >> Carbenium
Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic
hydrocarbons-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 >> Aromatic N-hydroxylamines OR SN1 >> Nitrenium Ion
formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >>
Aromatic nitroso OR SN1 >> Nitrenium Ion formation >> Aromatic
phenylureas OR SN1 >> Nitrenium Ion formation >> Primary (unsaturated)
heterocyclic amine OR SN1 >> Nitrenium Ion formation >> Primary aromatic
amine OR SN1 >> Nitrenium Ion formation >> Secondary aromatic amine OR
SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine OR SN1 >>
Nitrenium Ion formation >> Unsaturated heterocyclic azo OR SN1 >>
Nitrenium Ion formation >> Unsaturated heterocyclic nitro OR SN2 OR SN2
>> Direct Acting Epoxides and related OR SN2 >> Direct Acting Epoxides
and related >> Aziridines OR SN2 >> Direct Acting Epoxides and related
>> Epoxides OR SN2 >> Episulfonium Ion Formation OR SN2 >> Episulfonium
Ion Formation >> Mustards OR SN2 >> Nitrosation-SN2 OR SN2 >>
Nitrosation-SN2 >> Nitroso-SN2 OR SN2 >> P450 Mediated Epoxidation OR
SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2 OR SN2 >> SN2 at an
sp3 Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides
by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Aryl AND Diketone AND Fused
carbocyclic aromatic AND Fused heterocyclic aromatic AND Indandione AND
Pyridine AND Quinoline/ Isoquinoline by Organic Functional groups
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Fused carbocyclic aromatic AND
Indandione AND Overlapping groups AND Quinoline/ Isoquinoline by Organic
Functional groups (nested)
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aromatic Carbon [C] AND Aromatic Nitrogen AND Carbonyl, aliphatic attach
[-C(=O)-] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one
aromatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] AND Tertiary Carbon by Organic
functional groups (US EPA)
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND Carbonyl
compound AND Ketone by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Moderate binder, OH grooup OR Non binder, impaired OH or NH2 group OR
Non binder, MW>500 OR Non binder, non cyclic structure OR Strong binder,
NH2 group OR Strong binder, OH group OR Weak binder, NH2 group OR Weak
binder, OH group OR Very strong binder, OH group by Estrogen Receptor
Binding
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aryl AND Diketone AND Fused
carbocyclic aromatic AND Fused heterocyclic aromatic AND Indandione AND
Pyridine AND Quinoline/ Isoquinoline by Organic Functional groups
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Fused carbocyclic aromatic AND
Indandione AND Overlapping groups AND Quinoline/ Isoquinoline by Organic
Functional groups (nested)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aromatic Carbon [C] AND Aromatic Nitrogen AND Carbonyl, aliphatic attach
[-C(=O)-] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one
aromatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] AND Tertiary Carbon by Organic
functional groups (US EPA)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND Carbonyl
compound AND Ketone by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "r"
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 OR Acylation >> Direct Acylation
Involving a Leaving group >> Acyl halides (including benzyl and
carbamoyl deriv.) OR Acylation >> Direct Acylation Involving a Leaving
group >> Anhydrides OR Acylation >> Direct Acylation Involving a Leaving
group >> Azlactone OR Acylation >> Direct Acylation Involving a Leaving
group >> Sulphonyl halides OR Acylation >> Isocyanates and Related
Chemicals OR Acylation >> Isocyanates and Related Chemicals >>
Isothiocyanates OR Acylation >> Ring Opening Acylation OR Acylation >>
Ring Opening Acylation >> alpha-Lactams OR Michael addition OR Michael
addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes
>> Polarised alkene - amides OR Michael addition >> Polarised Alkenes >>
Polarised alkene - esters OR Michael addition >> Polarised Alkenes >>
Polarised alkene - ketones OR Michael addition >> Quinones and
Quinone-type Chemicals OR Michael addition >> Quinones and Quinone-type
Chemicals >> Pyranones (and related nitrogen chemicals) OR Michael
addition >> Quinones and Quinone-type Chemicals >> Quinone-diimine OR
Michael addition >> Quinones and Quinone-type Chemicals >> Quinone-imine
OR Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff
Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers
>> 1-3-Dicarbonyls OR Schiff Base Formers >> Direct Acting Schiff Base
Formers >> Mono-carbonyls OR SN2 OR SN2 >> Episulfonium Ion Formation OR
SN2 >> Episulfonium Ion Formation >> Mustards OR SN2 >> Epoxides and
Related Chemicals OR SN2 >> Epoxides and Related Chemicals >> Epoxides
OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a
sulphur atom >> Thiols OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2
>> SN2 reaction at sp3 carbon atom >> Alkyl diazo OR SN2 >> SN2 reaction
at sp3 carbon atom >> Alkyl halides OR SN2 >> SN2 reaction at sp3 carbon
atom >> Allyl acetates and related chemicals OR SN2 >> SN2 reaction at
sp3 carbon atom >> alpha-Haloalkenes (and related cyano, sulfate and
sulfonate subs. chem.) OR SN2 >> SN2 reaction at sp3 carbon atom >>
alpha-Halobenzyls (and related cyano, sulfate and sulphonate subs.
chem.) OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halocarbonyls
OR SN2 >> SN2 reaction at sp3 carbon atom >> beta-Halo ethers OR SN2 >>
SN2 reaction at sp3 carbon atom >> Sulfonates OR SNAr OR SNAr >>
Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic
substitution >> Activated halo-benzenes OR SNAr >> Nucleophilic aromatic
substitution >> Halo-triazines by Protein binding by OECD
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Known precedent reproductive and
developmental toxic potential OR Triazole derivatives (13c) OR Tubolin
interactors.Benzimidazole-like derivatives for metabolites (6b-1) OR
Tubolin interactors.Benzimidazole-like derivatives for metabolites
(6b-1) >> Benzimidazole-like derivatives / Metabolite by DART scheme
v.1.0
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.48
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.31
Applicant's summary and conclusion
- Conclusions:
- The developmental toxicity LOEL (Lowest Observed Effect Level) of D&C Yellow No. 11 in Sprague Dawley rat by the oral route was estimated to be 99.1999 mg/kg bw/day.
- Executive summary:
The developmental toxicity LOEL (Lowest Observed Effect Level) of D&C Yellow No. 11 in Sprague Dawley rat by the oral route was estimated to be 99.1999 mg/kg bw/day.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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