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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
Acute oral toxicity:
Acute oral toxicity dose was predicted based on OECD QSAR toolbox 3218 mg/kg bw, Danish (Q) SAR Database 2300 mg/kg bw and studies available on structurally similar read across substance Chroman-4-one (CAS no: 491-37-2) 2647 mg/kg bw and closely related read across substance Benzoyl chloride (98-88-4) 2528 mg/kg bw. All these studies concluded that the LD50 value isgreater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-ethoxynaphthalene-1-carbonyl chloride can be classified as category V of acute oral toxicity.
Acute Dermal toxicity:
Acute Dermal toxicity dose was predicted based on OECD QSAR toolbox 7211 mg/kg bw,and studies available on closely related read across substance Diethylbenzene (25340-17-4) ≥ 5000 mg/kg bw and Naphtha (petroleum), catalytic reformed (68955-35-1) > 2000 mg/kg bw. All these studies concluded that the LD50 value isgreater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-ethoxynaphthalene-1-carbonyl chloride can be classified as category V of acute dermal toxicity.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- 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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: 2-ethoxynaphthalene-1-carbonyl chloride
- Mol. formula: C13H11ClO2
- Molecular Weight: 234.681 g/mole
- Smiles: O=C(c1c2c(cccc2)ccc1OCC)Cl
- InChI: 1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3 - Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Details on oral exposure:
- not specified
- Doses:
- 3218 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 3 218 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality was observed
- Mortality:
- not specified
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- LD50 was estimated to be 3218 mg/kg bw when male and female Wistar rats were treated with 2-ethoxynaphthalene-1-carbonyl chloride via oral gavage route.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 2-ethoxynaphthalene-1-carbonyl chloride ( 55150-29-3). The LD50 was estimated to be 3218 mg/kg bw when male and female Wistar rats were treated with 2-ethoxynaphthalene-1-carbonyl chloride via oral gavage route.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
Estimation method: Takes average 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 (
not "h")
)
)
and "i" )
and "j" )
and ("k"
and (
not "l")
)
)
and ("m"
and "n" )
)
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 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: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones 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 >> Polarized Haloalkene Derivatives 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
AN2 >> Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation >> Polarized Haloalkene Derivatives OR Michael
addition OR Michael addition >> Quinone type compounds OR Michael
addition >> Quinone type compounds >> Quinone methides OR No alert found
OR Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >>
Quinones 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) >> Quinones OR Radical
>> ROS formation after GSH depletion 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 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 >> Nucleophilic substitution at sp3 Carbon atom OR
SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Specific Acetate
Esters OR SN2 >> SN2 at sp3 and activated sp2 carbon atom OR SN2 >> SN2
at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives
by DNA binding by OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Lysine peptide depletion
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Low reactive OR Low reactive >>
Acyl halides by DPRA Lysine peptide depletion
Domain
logical expression index: "i"
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: "j"
Referential
boundary: The
target chemical should be classified as Acyl halide AND Alkoxy AND Aryl
AND Ether AND Fused carbocyclic aromatic AND Naphtalene by Organic
Functional groups ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Valproic acid (Hepatotoxicity)
Alert by Repeated dose (HESS)
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.0156
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.44
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 3 218 mg/kg bw
- Quality of whole database:
- Data is Klimicsh 2 and from QSAR toolbox 3.3
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- 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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: 2-ethoxynaphthalene-1-carbonyl chloride
- Mol. formula: C13H11ClO2
- Molecular Weight: 234.681 g/mole
- Smiles: O=C(c1c2c(cccc2)ccc1OCC)Cl
- InChI: 1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3 - Species:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Type of coverage:
- occlusive
- Vehicle:
- not specified
- Details on dermal exposure:
- not specified
- Duration of exposure:
- 24 h
- Doses:
- 7211 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 7 211 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality was observed
- Mortality:
- not specified
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Remarks:
- Migrated information
- Conclusions:
- LD50 was estimated to be 7211 mg/kg bw when New Zealand White male and female rabbits were treated with 2-ethoxynaphthalene-1-carbonyl chloride by dermal application occlusively for 24 h.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 2-ethoxynaphthalene-1-carbonyl chloride ( 55150-29-3). The LD50 was estimated to be 7211 mg/kg bw when New Zealand White male and female rabbits were treated with 2-ethoxynaphthalene-1-carbonyl chloride by dermal application occlusively for 24 h.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
Estimation method: Takes average 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 (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and "m" )
and "n" )
and "o" )
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and "w" )
)
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 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 possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> 2-Alken-1-als (MA) OR Highly reactive (GSH) >>
Acrylates (MA) OR Highly reactive (GSH) >> Cinnamaldehydes (MA) OR
Moderately reactive (GSH) OR Moderately reactive (GSH) >>
2-Vinylpyridine (MA) OR Moderately reactive (GSH) >> Alkyl 2-alkenoates
(MA) OR Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) OR
Moderately reactive (GSH) >> Substituted 2-Alken-1-als (MA) OR Slightly
reactive (GSH) OR Slightly reactive (GSH) >> 2-Alkenyl carbonitriles
(MA) OR Slightly reactive (GSH) >> Methacrylates (MA) by Protein binding
potency
Domain
logical expression index: "i"
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: "j"
Referential
boundary: The
target chemical should be classified as Activated N-heterocycles OR
Epoxides(=oxiranes) OR Substituted benzoic acid halogenides by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "k"
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: "l"
Referential
boundary: The
target chemical should be classified as 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: "m"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "n"
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: "o"
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: "p"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Amineptine (Hepatotoxicity) Alert OR Aromatic
hydrocarbons (Liver enzyme induction) Rank C by Repeated dose (HESS)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as No alert found by Respiratory
sensitisation
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> Ring opening SN2
OR SN2 >> Ring opening SN2 >> Epoxides by Respiratory sensitisation
Domain
logical expression index: "t"
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: "u"
Referential
boundary: The
target chemical should be classified as Known precedent reproductive and
developmental toxic potential OR Toluene and small alkyl toluene
derivatives (8a) by DART scheme v.1.0
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.99
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.07
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 7 211 mg/kg bw
- Quality of whole database:
- Data is Klimicsh 2 and from QSAR toolbox 3.3
Additional information
Acute oral toxicity:
In different studies, 2-ethoxynaphthalene-1-carbonyl chloride (55150-29-3) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rats for 2-ethoxynaphthalene-1-carbonyl chloride along with the study available on structurally similar read across substance Chroman-4-one (CAS no: 491-37-2) and closely related read across substance Benzoyl chloride (98-88-4). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 2-ethoxynaphthalene-1-carbonyl chloride (55150-29-3). The LD50 was estimated to be 3218 mg/kg bw when male and female Wistar rats were treated with 2-ethoxynaphthalene-1-carbonyl chloride via oral gavage route.
In another experimental study based on the QSAR prediction done using the Danish (Q) SAR Database (2017), the acute oral toxicity was estimated for the 2-ethoxynaphthalene-1-carbonyl chloride (55150-29-3). The LD50 was estimated to be 2300 mg/kg bw with Reliability Index 0.81 (>0.75 = high prediction quality), when rats were treated with 2-ethoxynaphthalene-1-carbonyl chloride orally.
The above study supported by U.S. National Library of Medicine, ChemIDplus (2017), for the structurally similar read across substance Chroman-4-one (CAS no: 491-37-2). The acute oral toxicity was tested in rats at the dose concentration of 2647 mg/kg bw. Animals were observed for clinical signs. 50% mortality was observed at 2647 mg/kg with clinical signs such as, ataxia, hyper motility in GIT, diarrhoea and Chromodacyrorrea. Therefore, LD50 was considered to be 2647 mg/kg bw, when rats were treated with Chroman-4-one via oral route.
This is further supported by U. S. Environmental Protection Agency (2012), for the closely related read across substance Benzoyl chloride (98-88-4). The Acute oral toxicity study was conducted in 60 (10/dose) male Wistar rats using undiluted Benzoyl chloride. Doses were given in concentration 1210, 1820, 2420, 3030, 3750 or 6040 mg/kg via oral gavage route and observed for 14 days. Mortality was observed at 1820(2), 2420(5), 3030(6), 3750(9) and 6040(10) mg/kg. 50% mortality was observed at dose 2528mg/kg bw with the signs of intoxication reported as, sedation, extention spasm, reduced general condition in animals were observed. Hence, LD50 was considered to be 2528mg/kg bw, when male Wistar rats were treated with Benzoyl chloride (98-88-4) orally.
Thus, based on the above studies on 2-ethoxynaphthalene-1-carbonyl chloride (55150-29-3) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-ethoxynaphthalene-1-carbonyl chloride can be classified as category V of acute oral toxicity.
Acute Dermal toxicity:
In different studies, 2-ethoxynaphthalene-1-carbonyl chloride (CAS no: 55150-29-3) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits for 2-ethoxynaphthalene-1-carbonyl chloride along with the study available on closely related read across substance Diethylbenzene (25340-17-4) and Naphtha (petroleum), catalytic reformed (68955-35-1). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 2-ethoxynaphthalene-1-carbonyl chloride (55150-29-3). The LD50 was estimated to be 7211 mg/kg bw when New Zealand White male and female rabbits were treated with 2-ethoxynaphthalene-1-carbonyl chloride by dermal application occlusively for 24 h.
This is further supported by U. S. Environmental Protection Agency (ROBUST SUMMARIES for the Diethylbenzene, 2004), for the closely related read across substance Diethylbenzene (25340-17-4). The Acute Dermal toxicity study was conducted according to TSCA guideline in 10 Male and Female New Zealand White rabbits at the concentration of 5000 mg/kg bw. At start of the experiment, animals were at least 8 weeks old. The males weighed between 2.3-2.6 kg, and the females weighed between 2.6-2.7 kg. Room temperature was 60-70°F, and relative humidity was between 30-70% during the study. Animals were observed for 14 days post dose. Animals were observed for clinical examination and body weight (loss/gain). FIFRA method was used. No Mortality observed at 5000 mg/kg bw. Fissuring exhibited at a small portion of the dose site, in 1 animal, no severe dermal effect were seen. Decreased food consumption was exhibited by all 10 animals on the day after dosing; by 4 animals on Day 4; and by 1 animal on Day 10. All animals exhibited body weight losses or no weight change at Day 7, but most gained weight between Days 7 and 14. Therefore, LD50 was considered to be ≥ 5000 mg/kg bw, when male and female New Zealand White rabbits were treated with Diethylbenzene (25340-17-4) by dermal application.
The above study supported by National Industrial Chemicals Notification and Assessment Scheme - NICNAS (2017), for the closely related read across substance Naphtha (petroleum), catalytic reformed (68955-35-1). The acute dermal toxicity was tested in New Zealand White rabbits at the concentration of 2000 mg/kg bw. No mortality was observed at 2000 mg/kg bw. Therefore, the LD50 was considered to be > 2000 mg/kg bw, when New Zealand White rabbits were treated with Naphtha (petroleum), catalytic reformed (68955-35-1) by dermal application.
Thus, based on the above studies on 2-ethoxynaphthalene-1-carbonyl chloride (55150-29-3) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-ethoxynaphthalene-1-carbonyl chloride can be classified as category V of acute dermal toxicity.
Justification for classification or non-classification
Based on the above studies and prediction on 2-ethoxynaphthalene-1-carbonyl chloride (55150-29-3) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-ethoxynaphthalene-1-carbonyl chloride can be classified as category V for acute oral and dermal toxicity.
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