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EC number: 259-502-5 | CAS number: 55150-29-3
- 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
Skin irritation:
The dermal irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to skin and can be classified under the category “Category 2”as per CLP regulation.
Eye irritation:
The ocular irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to eye and can be classified under the category “Category 2”as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: 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 version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 2-Ethoxy-1-naphthoyl Chloride
- Molecular formula: C13H11ClO2
- Molecular weight: 234.681 g/mol
- Smiles notation: O=C(c1c2c(cccc2)ccc1OCC)Cl
- InChl: 1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- semiocclusive
- Preparation of test site:
- shaved
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 72 hours
- Number of animals:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Skin irritation was observed in treated rabbits.
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to skin.
- Executive summary:
The dermal irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating to the skin of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to skin and can be classified under the category “Category 2”as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 8 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and "h" )
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and "q" )
and "r" )
and ("s"
and (
not "t")
)
)
and "u" )
and "v" )
and "w" )
and ("x"
and "y" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acyl chloride OR Acyl halide OR
Alkylarylether OR Aromatic compound OR Carbonic acid derivative OR
Carboxylic acid derivative OR Ether OR Halogen derivative by Organic
functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon
[C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic
attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon
[C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic
attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acyl halide OR Alkoxy OR Aryl OR
Ether OR Fused carbocyclic aromatic OR Naphtalene by Organic Functional
groups ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, non cyclic structure by
Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Ka, pH 7)(Hydrowin) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O AND Group 17 - Halogens Cl AND Group 17 - Halogens
F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Group 1 - Alkali Earth
Li,Na,K,Rb,Cs,Fr OR Group 14 - Metalloids Si,Ge OR Group 15 - Nitrogen N
OR Group 15 - Phosphorus P OR Group 16 - Sulfur S by Chemical elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group CHal Melting Point > 65 C by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group C Melting Point > 55 C by
Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND Group CHal Melting Point > 65 C by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Group All Melting Point > 200 C
OR Group C Aqueous Solubility < 0.0001 g/L OR Group CHal log Kow > 4.5
by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Acyl halides OR Aldehydes OR
Esters including acrylic and methacrylic esters OR Ethylenglycolethers
OR Ketones OR Substituted benzoic acid halogenides by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Acyl chloride AND Acyl halide
AND Alkylarylether AND Aromatic compound AND Carbonic acid derivative
AND Carboxylic acid derivative AND Ether AND Halogen derivative by
Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "r"
Similarity
boundary:Target:
CCOc1ccc2ccccc2c1C(=O)Cl
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Allyl esters (Hepatotoxicity) Rank A OR
Amineptine (Hepatotoxicity) Alert OR Aromatic hydrocarbons (Liver enzyme
induction) Rank C OR Chlorphentermine (Hepatotoxicity) Alert OR
Tamoxifen (Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon
[C] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one aromatic
attach [-C(=O)-] AND Chlorine, olefinic attach [-Cl] AND Miscellaneous
sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen,
one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Acyl halide AND Alkoxy AND Ether
AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Acyl halide AND Alkoxy AND Ether
AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups by
Organic Functional groups (nested) ONLY
Domain
logical expression index: "x"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.03
Domain
logical expression index: "y"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.63
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: 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 version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 2-Ethoxy-1-naphthoyl Chloride
- Molecular formula: C13H11ClO2
- Molecular weight: 234.681 g/mol
- Smiles notation: O=C(c1c2c(cccc2)ccc1OCC)Cl
- InChl: 1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- single application
- Observation period (in vivo):
- 72 hours
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- severe eye damage was observed in treated rabbits.
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to eye.
- Executive summary:
The ocular irritation potential of 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) was estimated to be irritating into the eyes of New Zealand White rabbits. Based on the estimated result 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be considered to be irritating to eye and can be classified under the category “Category 2”as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and "h" )
and "i" )
and "j" )
and "k" )
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and "p" )
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and "u" )
and ("v"
and (
not "w")
)
)
and "x" )
and "y" )
and "z" )
and "aa" )
and "ab" )
and "ac" )
and "ad" )
and "ae" )
and "af" )
and "ag" )
and ("ah"
and (
not "ai")
)
)
and ("aj"
and (
not "ak")
)
)
and ("al"
and "am" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acyl chloride OR Acyl halide OR
Alkylarylether OR Aromatic compound OR Carbonic acid derivative OR
Carboxylic acid derivative OR Ether OR Halogen derivative by Organic
functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon
[C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic
attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aromatic Carbon
[C] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic
attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
one aromatic attach [-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acyl halide OR Alkoxy OR Aryl OR
Ether OR Fused carbocyclic aromatic OR Naphtalene by Organic Functional
groups ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Ka, pH 7)(Hydrowin) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Kb, pH 7)(Hydrowin) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (pH 6.5-7.4) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 1) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as SN2 AND SN2 >> Direct acylation
involving a leaving group AND SN2 >> Direct acylation involving a
leaving group >> Acyl Halides by DNA binding by OASIS v.1.3
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as 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 by DNA
binding by OASIS v.1.3
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as SN2 AND SN2 >> Direct acylation
involving a leaving group AND SN2 >> Direct acylation involving a
leaving group >> Acyl Halides by DNA binding by OASIS v.1.3
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Radical OR Radical >> Generation
of reactive oxygen species OR Radical >> Generation of reactive oxygen
species >> Thiols OR SN1 OR SN1 >> Alkylation after metabolically formed
carbenium ion species by DNA binding by OASIS v.1.3
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Addition of an Acyl Halide AND Acylation >> Direct Addition of an
Acyl Halide >> Acyl halide by DNA binding by OECD ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct acylation involving a leaving group AND Acylation >> Direct
acylation involving a leaving group >> (Thio)Acyl and (thio)carbamoyl
halides and cyanides by Protein binding by OASIS v1.3
Domain
logical expression index: "r"
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 >> Polarised Alkenes OR
Michael Addition >> Polarised Alkenes >> Polarised Alkene - alkenyl
pyridines, pyrazines, pyrimidines or triazines by Protein binding by
OASIS v1.3
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> Furamates (MA) by Protein binding potency
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as No Data by Ultimate biodeg
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as > 100 days by Ultimate biodeg
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Acid Halides by Aquatic toxicity
classification by ECOSAR ONLY
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as Aromatic ether [-O-aromatic
carbon] AND Aromatic-H AND -CH2- [linear] AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Aromatic acid [-C(=O)-OH] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Aromatic ether [-O-aromatic
carbon] AND Aromatic-H AND -CH2- [linear] AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as No alert found by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "al"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.437
Domain
logical expression index: "am"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.87
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and humans for target chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;
The prediction modelOECD QSAR toolbox version 3.3 with logPow as the primary descriptor, estimated dermal irritation potential for test chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3). The test substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) is estimated to be irritating to skin of New Zealand White Rabbits.
The above result was further supported by the dermal irritation studies conducted byTAKEHITO KGZUKA et al., {Contact Dermatitis; Volume 6; Pg. no. 330-336; 1980}for two read across substances 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6)and1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9) in human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R. Both the studies were performed by the same method. During the test, the patch of each chemical was applied onto the back of each patientfor 24 hours by usingFinn Chambers® on Scanpor® (Epitest, Ltd. Oy). After removal of patch, skin reactions were assessedaccording to the ICDRG classification for 2 days.Twenty-eight healthy female volunteers, aged 20 and 21, were also tested with the sample as controls. None gave a positive reaction. Thepositive reactions were seen in 2 out of total 8 patients in case ofchemical1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) while in case of chemical 1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9), all the treated patients showed positive skin reactions. Therefore on the basis of observed effects the chemicals1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9) wereconsidered to be irritatingin human patients suffering from pigmented contact dermatitis caused by the commercial Brilliant Lake Red R.
Based on the available data for the target substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substances1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) while in case of chemical 1-(phenyldiazenyl)-2-naphthol (CAS No: 842-07-9),it can be concluded thatchemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) is able to cause skin irritation and considered as irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2”.
Eye irritation:
In different studies,test chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)has been investigated for potential for ocular irritation to a greater or lesser extentThe studies are based on in vivo experiments in rabbits for target chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)and its structurally similar read across substances1-[(2-methoxyphenyl)diazenyl]-2-naphthol(CAS No: 1229-55-6) and 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data which are summarized as below;
The prediction modelOECD QSAR toolbox version 3.3 with logPow as the primary descriptor, estimated an eye irritation potential for test chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3). The test substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) is estimated to be irritating to eye of New Zealand White Rabbits.
The Gunda Reddy and Dale A. Mayhew{International Journal of Toxicology Vol 15, Issue 1_suppl, pp. S43 - S44, 1996} andU.S. Army Medical Bioengineering Research and development Laboratory{NTRL- April - 1986, Page no 1-169} conducted an ocular irritation study for read across substance 1-[(2-methoxyphenyl)diazenyl]-2-naphthol(1229-55-6)on6 (3/sex) New Zealand White Albino rabbits. About 0.1 g of neat1-[(2-methoxyphenyl)diazenyl]-2-naphthol was instilled into the eyes of rabbits and the effects were observed. The treated eye of each animal was examined for ocular irritation and lesions at 24, 48 and 72 hours (+2 hours at each interval). The treated eyes were evaluated on days 7, 14, and 21 if irritation persisted. No mortality and clinical signs of toxicity were observed in treated rabbits. Redness (grades 1 through 3), chemosis (grades I and 2), discharge (grades 1 and 2) and iritis (grade 1) were observed. Blistering of the conjunctivae were observed. Blistering of the conjunctivae was noted for all animals. Two animals also exhibited opacities and positive fluorescein staining. All animals were considered to have exhibited a positive response to1-[(2-methoxyphenyl)diazenyl]-2-naphthol.The mean irritation score after 72 hours was 0.7 Hence,1-[(2-methoxyphenyl)diazenyl]-2-naphthol(CAS No: 1229-55-6)can be considered to be irritating to New Zealand White rabbit eyes.
The above results were further supported by experimental study reported byCommission of the European Communities{Directorate-General Telecommunications, Information Industries and Innovation; Bâtiment Jean Monnet, LUXEMBOURG, 1988} for read across chemical1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) in rabbits.When pure1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol was administrated into the eye of rabbits, slight ocular effects were observed. Hence the chemical 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6) was considered to be irritating to the rabbits’ eye.
Based on the available data for the target substance 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substances1-[(2-methoxyphenyl)diazenyl]-2-naphthol(CAS No: 1229-55-6) and 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No: 3118-97-6),it can be concluded thatchemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) is able to cause eye irritation and considered as irritating. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemical2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicates that the test chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3)is likely to cause skin and eye irritation. Hence2-Ethoxy-1-naphthoyl Chloride (CAS No: 55150-29-3) can be classified under the category “Category 2” for skin and eye as per CLP.
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