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EC number: 204-578-7 | CAS number: 122-84-9
- 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:
4-methoxyphenylacetone was not irritating to human skin after 48 hours exposure.
Eye Irritation:
The ocular irritation potential of 4-methoxyphenylacetone was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
4-methoxyphenylacetone was estimated to be not irritating to the eyes of Vienna White rabbits.
Based on the estimated results, 4-methoxyphenylacetone can be considered to be not irritating to eyes and can be classified under the category “Not Classified” 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:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from peer reviewed journals
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- To evaluate skin irritation potential of 4-methoxyphenylacetone on human subjects.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- IUPAC name: p- methoxyphenylacetone
Common name:1-(p-Methoxyphenyl)-2-propanone
Molecular formula:C10H12O2
Molecular weight :164.203 g/mol
Substance type:organic
InChI:1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
SMILES Notation: c1(ccc(OC)cc1)CC(C)=O
Physical State: Liquid - Species:
- other: Human
- Strain:
- not specified
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- occlusive
- Preparation of test site:
- not specified
- Vehicle:
- other: petrolatum
- Controls:
- not specified
- Amount / concentration applied:
- 4% in petrolatum
- Duration of treatment / exposure:
- 48 hrs
- Observation period:
- 48 hrs
- Number of animals:
- no data available
- Details on study design:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 48 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No indication of skin reaction observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- 4-methoxyphenylacetone was not irritating to human skin after 48 hours exposure.
- Executive summary:
A skin irritation study was performed on humans to assess the irritation potential of 4-methoxyphenylacetone. 4-methoxyphenylacetone 4% in petrolatum was tested on human volunteers in a 48 hours closed patch test. The volunteers were observed for signs of irritation. 4-methoxyphenylacetone was not irritating to human skin after 48 hours exposure.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not 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:
- data from handbook or collection of data
- 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: Estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 4-methoxyphenylacetone
- IUPAC name: 1-(4-methoxyphenyl)acetone
- Molecular formula: C10H12O2
- Molecular weight: 164.203 g/mole
- Smiles : c1(ccc(OC)cc1)CC(C)=O
- Inchl: 1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
- Substance type: Organic
- Physical state: Colorless, oily liquid - Species:
- rabbit
- Strain:
- Vienna White
- Details on test animals or tissues and environmental conditions:
- no data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- 0.1 ml
- Duration of treatment / exposure:
- single exposure
- Observation period (in vivo):
- 72 hours
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- no signs of irritation observed
- Interpretation of results:
- other: not irritating
- Conclusions:
- 4-methoxyphenylacetone was estimated to be not irritating to the eyes of Vienna White rabbits.
- Executive summary:
The ocular irritation potential of 4-methoxyphenylacetone was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
4-methoxyphenylacetone was estimated to be not irritating to the eyes of Vienna White rabbits.
Based on the estimated results, 4-methoxyphenylacetone can be considered to be not irritating to eyes and can be classified under the category “Not Classified” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((((((("a"
or "b" )
and ("c"
and (
not "d")
)
)
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and "o" )
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and "t" )
and "u" )
and "v" )
and "w" )
and "x" )
and "y" )
and "z" )
and "aa" )
and "ab" )
and "ac" )
and "ad" )
and "ae" )
and ("af"
and "ag" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Nucleophilic addition AND
Nucleophilic addition >> Addition to carbon-hetero double bonds AND
Nucleophilic addition >> Addition to carbon-hetero double bonds >>
Ketones by Protein binding by OASIS v1.3
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Class 1 (narcosis or baseline
toxicity) by Acute aquatic toxicity classification by Verhaar (Modified)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> N-Hydroxylamines OR AN2 >> Michael-type addition on alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on
alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered
Lactones OR AN2 >> Schiff base formation by aldehyde formed after
metabolic activation OR AN2 >> Schiff base formation by aldehyde formed
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR AN2
>> Shiff base formation after aldehyde release OR AN2 >> Shiff base
formation after aldehyde release >> Specific Acetate Esters OR AN2 >>
Shiff base formation for aldehydes OR AN2 >> Shiff base formation for
aldehydes >> Geminal Polyhaloalkane Derivatives OR Non-covalent
interaction OR Non-covalent interaction >> DNA intercalation OR
Non-covalent interaction >> DNA intercalation >> DNA Intercalators with
Carboxamide Side Chain OR Radical OR Radical >> Generation of ROS by
glutathione depletion (indirect) OR Radical >> Generation of ROS by
glutathione depletion (indirect) >> Haloalkanes Containing Heteroatom 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) >> Geminal
Polyhaloalkane Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> N-Hydroxylamines OR SN1 OR SN1 >> Alkylation
after metabolically formed carbenium ion species OR SN1 >> Alkylation
after metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN1 >> Nucleophilic attack after carbenium
ion formation OR SN1 >> Nucleophilic attack after carbenium ion
formation >> Specific Acetate Esters OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> N-Hydroxylamines OR SN2 OR SN2 >>
Acylation OR SN2 >> Acylation >> Specific Acetate Esters OR SN2 >>
Acylation involving a leaving group OR SN2 >> Acylation involving a
leaving group >> Geminal Polyhaloalkane Derivatives OR SN2 >> Acylation
involving a leaving group after metabolic activation OR SN2 >> Acylation
involving a leaving group after metabolic activation >> Geminal
Polyhaloalkane Derivatives OR SN2 >> Alkylation by epoxide metabolically
formed after E2 reaction OR SN2 >> Alkylation by epoxide metabolically
formed after E2 reaction >> Monohaloalkanes 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 >> Alkylation, nucleophilic substitution at
sp3-carbon atom OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom >> Monohaloalkanes OR SN2 >> Alkylation, ring opening
SN2 reaction OR SN2 >> Alkylation, ring opening SN2 reaction >> Four-
and Five-Membered Lactones OR SN2 >> Direct acting epoxides formed after
metabolic activation OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Quinoline Derivatives OR SN2 >> DNA alkylation
OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR SN2 >> Internal SN2
reaction with aziridinium and/or cyclic sulfonium ion formation
(enzymatic) OR SN2 >> Internal SN2 reaction with aziridinium and/or
cyclic sulfonium ion formation (enzymatic) >> Vicinal Dihaloalkanes OR
SN2 >> Nucleophilic substitution after carbenium ion formation OR SN2 >>
Nucleophilic substitution after carbenium ion formation >>
Monohaloalkanes OR SN2 >> Nucleophilic substitution at sp3 Carbon atom
OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes
Containing Heteroatom OR SN2 >> Nucleophilic substitution at sp3 Carbon
atom >> Specific Acetate Esters OR SN2 >> Nucleophilic substitution at
sp3 carbon atom after thiol (glutathione) conjugation OR SN2 >>
Nucleophilic substitution at sp3 carbon atom after thiol (glutathione)
conjugation >> Geminal Polyhaloalkane Derivatives OR SN2 >> SN2 at an
activated carbon atom OR SN2 >> SN2 at an activated carbon atom >>
Quinoline Derivatives by DNA binding by OASIS v.1.3
Domain
logical expression index: "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 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 >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >>
Hydroquinones OR Michael addition >> P450 Mediated Activation to
Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and
heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR Michael
addition >> Polarised Alkenes-Michael addition OR Michael addition >>
Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters OR
Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated ketones OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >>
Iminium Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium
Ion formation OR SN1 >> Nitrenium Ion formation >> Secondary aromatic
amine OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine OR
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 Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> Activated haloarenes OR High reactive >> alpha,beta-carbonyl
compounds with polarized multiple bonds OR High reactive >> Vinyl
pyridines OR Low reactive OR Low reactive >> Alicyclic ketones by DPRA
Cysteine peptide depletion
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, non cyclic structure OR Strong binder, OH group OR
Very strong binder, OH group OR Weak binder, OH group by Estrogen
Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "l"
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 >> Azlactone by Protein binding by OECD
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael addition
to the quinoid type structures OR AN2 >> Michael addition to the quinoid
type structures >> N-Subsituted Aromatic Amines OR AN2 >> Nucleophilic
addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles OR AN2 >> Nucleophilic addition to pyridonimine
tautomer of aminopyridoindoles or aminopyridoimidazoles >> Heterocyclic
Aromatic Amines OR Radical mechanism OR Radical mechanism >> ROS
generation and direct attack of hydroxyl radical to the C8 position of
nucleoside base OR Radical mechanism >> ROS generation and direct attack
of hydroxyl radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines OR SE reaction (CYP450-activated
heterocyclic amines) OR SE reaction (CYP450-activated heterocyclic
amines) >> Direct attack of arylnitrenium cation to the C8 position of
nucleoside base OR SE reaction (CYP450-activated heterocyclic amines) >>
Direct attack of arylnitrenium cation to the C8 position of nucleoside
base >> Heterocyclic Aromatic Amines OR SR reaction
(peroxidase-activated heterocyclic amines) OR SR reaction
(peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base OR SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines by Protein binding alerts for Chromosomal
aberration by OASIS v1.1
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O by Chemical elements
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Group 15 - Nitrogen N by
Chemical elements
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Ketone by
Organic Functional groups ONLY
Domain
logical expression index: "ae"
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, aliphatic attach [-C(=O)-] 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: "af"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.49
Domain
logical expression index: "ag"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.86
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin Irritation:
In different studies,4-methoxyphenylacetone has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with human data for target chemical and its structurally similar read across substances,4-methoxybenzyl alcohol[CAS: 105-13-5] and 4 methoxy phenylacetic acid (MPAA)[CAS: 104 -01-8]. The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
Various studies for 4-methoxyphenylacetone were summarized in Food and Cosmetics Toxicology, Volume 17, Supplement, December 1979, Page 857; to assess the dermal irritation potential in humans and rabbits.
4-methoxyphenylacetone applied at full strength to intact or abraded rabbit skin underocclusion was irritating after 24 hours exposure. Also, when tested on human subjects at 4% in petrolatum in a 48-hr closed-patch test,4-methoxyphenylacetone produced no irritation.
Even though rabbit study indicates that 4-methoxyphenylacetone is irritating to rabbit skin but human data concludes that it is not irritating to human skin. Since, in the rabbit study skin was exposed to higher concentration of 4-methoxyphenylacetone than the normal use, there exists a possibility of 4-methoxyphenylacetone being of not irritating to rabbit skin at lower concentrations. So, 4-methoxyphenylacetone can be considered to be not irritating to skin.
In a prediction done by SSS (2018) using the OECD QSAR toolbox v3.3 with log kow as the primary descriptor, the dermal irritation potential was estimated for4-methoxyphenylacetone. 4 -methoxyphenylacetone was estimated to be not irritating to the skin of rabbits.
Skin irritation effects were also estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database for 4-methoxyphenylacetone. Based on estimation, No severe skin irritation effects were known when 4-methoxyphenylacetone was exposed to rabbit skin.
The experimental and estimated data are in agreement with each other, which substantiate the claim that 4-methoxyphenylacetone is indeed not irritating to skin.
The above results are further supported by the experimental study summarized in Food and Cosmetics Toxicology, Volume 12, Issues 7–8, December 1974, Page 825; for the structurally similar read across substance,4-methoxybenzyl alcohol[CAS: 105-13-5]. 4-methoxybenzyl alcoholwas tested 5% in petrolatum on human volunteers in a 48-hours closed patch test. The volunteers were observed for signs of irritation.4 -methoxybenzyl alcohol was not irritating to human skin after 48 hours exposure.
These results are ably supported by the experimental study summarized in National Technical Information Service, OTS0530656-1 (1991); for the structurally similar read across substance,4 methoxy phenylacetic acid (MPAA)[CAS: 104-01-8]. Six New Zealand White rabbits were treated with 0.5 gm of test substance moistened with water. The Area of exposure was 6 square cm of clipped skin and the wrap used was Gauze patch. The cover was removed after 4 hours of exposure and the skin was wiped free of excess test material with absorbant pad. The skin reactions in the rabbits were observed and evaluated according to Draize method after 1 hr of removal of cover and 1, 2,3 days after removal . The minimum mean dermal irritation score at any observation was 0.0 (Maximum possible score is 8.0). No animal showed any indication of dermal irritation.
Thus, it was considered that 4 methoxy phenylacetic acid (MPAA) was not irritating to skin.
Based on the available data for the target as well as read across substances and applying the weight of evidence approach,4-methoxyphenylacetone was not irritating to skin.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Not Classified”.
Eye Irritation:
In different studies,4-methoxyphenylacetone has been investigated for potential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with human data for target chemical and its structurally similar read across substances,p-methoxybenzyl acetate [CAS: 104-21-2] and 4-(3-oxobutyl)phenyl acetate (Cue-Lure)[CAS: 3572-06 -3].The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2018) using the OECD QSAR toolbox v3.3 with log kow as the primary descriptor, the ocular irritation potential was estimated for4-methoxyphenylacetone. 4 -methoxyphenylacetone was estimated to be not irritating to the eyes of Vienna White rabbits.
This is supported by the experimental study summarized in Food and Chemical Toxicology, 50, (2012), S502–S506;for the structurally similar read across substance,p-methoxybenzyl acetate [CAS: 104-21-2].Undiluted 0.1 ml aliquot of p-anisyl acetate was instilled into the left eye of four female SPF albino rabbits, then gently closed for 1 s. The untreated right eye of each animal served as a control. Observations were made at 1, 24, 48 and 72 hours. Slight to moderate conjunctive irritation (4/4) was observed 1 hour after application. All effects were reversible within 48 hours.
Since, the observed effects were fully reversible by the end of the observation period, p-methoxybenzyl acetate can be considered to be not irritating to rabbit eyes.
The above studies are also supported by the experimental study summarized in Toxicology and Applied Pharmacology, 31,421-429,1975; for the structurally similar substance, 4-(3 -oxobutyl)phenyl acetate (Cue-Lure)[CAS: 3572-06-3]. 0.1 ml of undiluted sample was instilled into the conjunctival sac of the right eye of each of six albino rabbits. The left eye of each animal served as the control. Grading for eye injury was made at 1, 24, 48 and 72 hr and at 7 days after treatment according to the grading and scoring system of Draize et al. (1944) in which a zero score indicates no irritation and the maximum score at any one scoring period is 110 (maximum irritation and damage to the cornea, iris, and conjunctiva).
Some effects were observed in rabbits till 24 hours which got cleared up by 7 days. The mean irritation index for 4-(3-oxobutyl)phenyl acetate[Cue-lure] after 7 days was 0.0.
Hence, 4-(3-oxobutyl)phenyl acetate[Cue-lure] can be considered to be not irritating to rabbit eyes.
Based on the available data for the target as well as read across substances and applying the weight of evidence approach,4-methoxyphenylacetone was not irritating to eyes.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Not Classified”.
Justification for classification or non-classification
Based on the available information, 4-methoxyphenylacetone is not likely to cause any irritation to eyes and skin.
Hence, 4-methoxyphenylacetone can be classified under the category “Not Classified” as per CLP regulation.
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