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EC number: 211-806-9 | CAS number: 697-82-5
- 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:
Skin irritation effects were estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database for 2,3,5 –trimethyl phenol. Based on estimation, severe skin irritation effects were known when 2,3,5 –trimethyl phenol was exposed to rabbit skin
Eye Irritation:
The ocular irritation potential of 2,3,5-trimethyl phenol was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2,3,5-trimethyl phenol was estimated to be severely irritating to the eyes of New Zealand White rabbits.
Based on the estimated results, 2,3,5-trimethyl phenol can be considered to be severely irritating to eyes and can be classified under the category “Eye 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- data is from modelling databases
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- To estimate the skin irritation potential of 2,3,5-trimethyl phenol in rabbits
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2, 3, 5-Trimethylphenol
- Molecular formula: C9H12O
-Molecular weight: 136.193 g/mol
- Smiles notation: c1(c(cc(C)cc1O)C)C
- InChl : 1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
- Substance type: Organic
- Physical state: Solid - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or test system and environmental conditions:
- no data available
- Type of coverage:
- not specified
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- no data available
- Duration of treatment / exposure:
- no data available
- Observation period:
- no data available
- Number of animals:
- no data available
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: no data available
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Severe irritation was estimated in rabbits
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- Severe skin irritation effects of 2,3,5 –trimethyl phenol were estimated in rabbit skin by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database.
- Executive summary:
Skin irritation effects were estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database for 2,3,5 –trimethyl phenol. Based on estimation, severe skin irritation effects were known when 2,3,5 –trimethyl phenol was exposed to rabbit skin.
Reference
Table showing skin irritation estimation by three different models i.e, Leadscope, battery and SciQSAR &CASE Ultra,the average skin irritation results was given by the fourth model i.e, Battery model.
DK |
Battery |
SciQSAR |
CASE Ultra |
Leadscope |
Skin irritation in rabbit |
POS |
POS |
POS |
POS |
Domain |
IN |
IN |
OUT |
IN |
Where,
IN = inside applicability domain
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 v3.4 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 v3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2, 3, 5-Trimethylphenol
- Molecular formula: C9H12O
-Molecular weight: 136.193 g/mol
- Smiles notation: c1(c(cc(C)cc1O)C)C
- InChl : 1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
- 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:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 100 mg
- Duration of treatment / exposure:
- single administration
- Observation period (in vivo):
- 24,48,72 hours and 7 days post instillation
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 6
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: 24,48, 72 h and 7 days
- Reversibility:
- not specified
- Remarks on result:
- probability of severe irritation
- Irritant / corrosive response data:
- Severe irritation was observed
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- 2,3,5-trimethyl phenol was estimated to be severely irritating to the eyes of New Zealand White rabbits.
- Executive summary:
The ocular irritation potential of 2,3,5-trimethyl phenol was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2,3,5-trimethyl phenol was estimated to be severely irritating to the eyes of New Zealand White rabbits.
Based on the estimated results, 2,3,5-trimethyl phenol can be considered to be severely irritating to eyes and can be classified under the category “Eye 2” as per CLP regulation
Reference
Estimation
method: Takes mode 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") and("w"
and "x") )
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Alkyl arenes AND Aryl AND Phenol
by Organic Functional groups
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as Alkyl arenes AND Overlapping
groups AND Phenol by Organic Functional groups (nested)
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic
Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH]
AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-]
by Organic functional groups (US EPA)
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Aromatic compound AND Hydroxy
compound AND Phenol 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
OASIS v.1.4
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 >> Flavonoids OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> Hydroxamic Acids 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 >> Michael-type conjugate addition to activated alkene
derivatives OR AN2 >> Michael-type conjugate addition to activated
alkene derivatives >> Alpha-Beta Conjugated Alkene Derivatives with
Geminal Electron-Withdrawing Groups OR AN2 >> Nucleophilic addition
reaction with cycloisomerization OR AN2 >> Nucleophilic addition
reaction with cycloisomerization >> Hydrazine Derivatives 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 >> 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 >> Haloalkane Derivatives with Labile Halogen 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 Non-covalent interaction OR Non-covalent
interaction >> DNA intercalation OR Non-covalent interaction >> DNA
intercalation >> Acridone, Thioxanthone, Xanthone and Phenazine
Derivatives OR Non-covalent interaction >> DNA intercalation >> Amino
Anthraquinones OR Non-covalent interaction >> DNA intercalation >>
Aminoacridine DNA Intercalators OR Non-covalent interaction >> DNA
intercalation >> Coumarins OR Non-covalent interaction >> DNA
intercalation >> DNA Intercalators with Carboxamide and Aminoalkylamine
Side Chain OR Non-covalent interaction >> DNA intercalation >>
Fused-Ring Nitroaromatics OR Non-covalent interaction >> DNA
intercalation >> Fused-Ring Primary Aromatic Amines OR Non-covalent
interaction >> DNA intercalation >> Organic Azides OR Non-covalent
interaction >> DNA intercalation >> Polycyclic Aromatic Hydrocarbon and
Naphthalenediimide Derivatives OR Non-covalent interaction >> DNA
intercalation >> Quinolone Derivatives OR Non-covalent interaction >>
DNA intercalation >> Quinones and Trihydroxybenzenes OR Non-covalent
interaction >> DNA intercalation >> Triarylimidazole and Structurally
Related DNA Intercalators OR Non-specific OR Non-specific >>
Incorporation into DNA/RNA, due to structural analogy with nucleoside
bases OR Non-specific >> Incorporation into DNA/RNA, due to
structural analogy with nucleoside bases >> Specific Imine and
Thione Derivatives 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 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 by ROS formation >> Five-Membered Aromatic Nitroheterocycles
OR Radical >> Radical mechanism by ROS formation >> Organic Azides OR
Radical >> Radical mechanism via ROS formation (indirect) OR Radical >>
Radical mechanism via ROS formation (indirect) >> Acridone,
Thioxanthone, Xanthone and Phenazine Derivatives OR Radical >> Radical
mechanism via ROS formation (indirect) >> Amino Anthraquinones OR
Radical >> Radical mechanism via ROS formation (indirect) >> Anthrones
OR Radical >> Radical mechanism via ROS formation (indirect) >>
C-Nitroso Compounds OR Radical >> Radical mechanism via ROS formation
(indirect) >> Conjugated Nitro Compounds OR Radical >> Radical mechanism
via ROS formation (indirect) >> Coumarins OR Radical >> Radical
mechanism via ROS formation (indirect) >> Diazenes and Azoxyalkanes OR
Radical >> Radical mechanism via ROS formation (indirect) >> Flavonoids
OR Radical >> Radical mechanism via ROS formation (indirect) >>
Fused-Ring Nitroaromatics OR Radical >> Radical mechanism via ROS
formation (indirect) >> Fused-Ring Primary Aromatic Amines OR Radical >>
Radical mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> Hydrazine Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> N-Hydroxylamines OR Radical >> Radical mechanism
via ROS formation (indirect) >> Nitro Azoarenes OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitroaniline Derivatives OR
Radical >> Radical mechanism via ROS formation (indirect) >> Nitroarenes
with Other Active Groups OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitrobiphenyls and Bridged Nitrobiphenyls OR
Radical >> Radical mechanism via ROS formation (indirect) >>
Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >>
Radical mechanism via ROS formation (indirect) >> p-Aminobiphenyl
Analogs OR Radical >> Radical mechanism via ROS formation (indirect) >>
Polynitroarenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> p-Substituted Mononitrobenzenes OR Radical >> Radical
mechanism via ROS formation (indirect) >> Quinones and
Trihydroxybenzenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Single-Ring Substituted Primary Aromatic Amines OR Radical
>> Radical mechanism via ROS formation (indirect) >> Specific Imine and
Thione Derivatives OR Radical >> Radical mechanism via ROS formation
(indirect) >> Thiols OR Radical >> ROS formation after GSH depletion
(indirect) OR Radical >> ROS formation after GSH depletion (indirect) >>
Haloalcohols OR Radical >> ROS formation after GSH depletion (indirect)
>> Quinoneimines OR SN1 OR SN1 >> Alkylation after metabolically formed
carbenium ion species OR SN1 >> Alkylation after metabolically formed
carbenium ion species >> Polycyclic Aromatic Hydrocarbon and
Naphthalenediimide Derivatives OR SN1 >> Alkylation by carbenium ion
formed OR SN1 >> Alkylation by carbenium ion formed >> Diazoalkanes OR
SN1 >> Direct nucleophilic attack on diazonium cation (DNA alkylation)
OR SN1 >> Direct nucleophilic attack on diazonium cation (DNA
alkylation) >> Diazenes and Azoxyalkanes OR SN1 >> Nitrenium ion
formation OR SN1 >> Nitrenium ion formation >> Sulfonyl Azides OR SN1 >>
Nucleophilic attack after carbenium ion formation OR SN1 >> Nucleophilic
attack after carbenium ion formation >> N-Nitroso Compounds OR SN1 >>
Nucleophilic attack after carbenium ion formation >> Specific Acetate
Esters OR SN1 >> Nucleophilic attack after diazonium or carbenium ion
formation OR SN1 >> Nucleophilic attack after diazonium or carbenium ion
formation >> Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Amino Anthraquinones
OR SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >>
Fused-Ring Primary Aromatic Amines OR SN1 >> Nucleophilic attack after
nitrene formation OR SN1 >> Nucleophilic attack after nitrene formation
>> Organic Azides OR SN1 >> Nucleophilic attack after nitrenium ion
formation OR SN1 >> Nucleophilic attack after nitrenium ion formation >>
N-Hydroxylamines OR SN1 >> Nucleophilic attack after nitrenium ion
formation >> p-Aminobiphenyl Analogs OR SN1 >> Nucleophilic attack after
nitrenium ion formation >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 >> Nucleophilic attack after nitrosonium cation formation
OR SN1 >> Nucleophilic attack after nitrosonium cation formation >>
N-Nitroso Compounds OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Conjugated Nitro Compounds OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Fused-Ring Nitroaromatics OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Nitro Azoarenes OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation >> Nitroaniline
Derivatives OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitroarenes with Other Active Groups OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Nitrobiphenyls and Bridged Nitrobiphenyls OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Nitrophenols, Nitrophenyl
Ethers and Nitrobenzoic Acids OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Polynitroarenes OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
p-Substituted Mononitrobenzenes OR SN1 >> Nucleophilic substitution
after glutathione-induced nitrenium ion formation OR SN1 >> Nucleophilic
substitution after glutathione-induced nitrenium ion formation >>
C-Nitroso Compounds OR SN1 >> Nucleophilic substitution on diazonium ion
OR SN1 >> Nucleophilic substitution on diazonium ion >> Specific Imine
and Thione Derivatives OR SN2 OR SN2 >> Acylation OR SN2 >> Acylation >>
Hydroxamic Acids OR SN2 >> Acylation >> N-Hydroxylamines OR SN2 >>
Acylation >> Specific Acetate Esters OR SN2 >> Acylation involving a
leaving group OR SN2 >> Acylation involving a leaving group >>
Haloalkane Derivatives with Labile Halogen 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 OR SN2 >> Alkylation >>
Alkylphosphates, Alkylthiophosphates and Alkylphosphonates OR SN2 >>
Alkylation by epoxide metabolically formed after E2 reaction OR SN2 >>
Alkylation by epoxide metabolically formed after E2 reaction >>
Haloalcohols 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 cyclization OR SN2 >> Alkylation, direct acting epoxides and
related after cyclization >> Nitrogen and Sulfur Mustards 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 >> Polarized
Haloalkene Derivatives OR SN2 >> Alkylation, direct acting epoxides and
related after P450-mediated metabolic activation >> Polycyclic Aromatic
Hydrocarbon and Naphthalenediimide Derivatives OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom >> Haloalkane Derivatives
with Labile Halogen OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom >> Haloalkanes Containing Heteroatom OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom >> Sulfonates
and Sulfates 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 >> Coumarins OR SN2 >> Direct acting epoxides formed after
metabolic activation >> Quinoline Derivatives OR SN2 >> Direct acylation
involving a leaving group OR SN2 >> Direct acylation involving a leaving
group >> Acyl Halides OR SN2 >> Direct nucleophilic attack on diazonium
cation OR SN2 >> Direct nucleophilic attack on diazonium cation >>
Hydrazine Derivatives 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 OR SN2 >> SN2 at sp3 and activated sp2
carbon atom OR SN2 >> SN2 at sp3 and activated sp2 carbon atom >>
Polarized Haloalkene Derivatives OR SN2 >> SN2 at sulfur atom OR SN2 >>
SN2 at sulfur atom >> Sulfonyl Halides OR SN2 >> SN2 attack on activated
carbon Csp3 or Csp2 OR SN2 >> SN2 attack on activated carbon Csp3 or
Csp2 >> Nitroarenes with Other Active Groups by DNA binding by OASIS
v.1.4
Domain
logical expression index: "g"
Referential
boundary:The
target chemical should be classified as Alkyl arenes AND Aryl AND Phenol
by Organic Functional groups
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as Alkyl arenes AND Overlapping
groups AND Phenol by Organic Functional groups (nested)
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic
Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH]
AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-]
by Organic functional groups (US EPA)
Domain
logical expression index: "j"
Referential
boundary:The
target chemical should be classified as Aromatic compound AND Hydroxy
compound AND Phenol by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Weak binder, OH 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 Non binder,
without OH or NH2 group OR Strong binder, NH2 group OR Strong binder, OH
group OR Very strong binder, OH group OR Weak binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "m"
Referential
boundary:The
target chemical should be classified as Alkyl arenes AND Aryl AND Phenol
by Organic Functional groups
Domain
logical expression index: "n"
Referential
boundary:The
target chemical should be classified as Alkyl arenes AND Overlapping
groups AND Phenol by Organic Functional groups (nested)
Domain
logical expression index: "o"
Referential
boundary:The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic
Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH]
AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-]
by Organic functional groups (US EPA)
Domain
logical expression index: "p"
Referential
boundary:The
target chemical should be classified as Aromatic compound AND Hydroxy
compound AND Phenol by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "q"
Referential
boundary:The
target chemical should be classified as AN2 AND AN2 >> Michael-type
addition to quinoid structures AND AN2 >> Michael-type addition to
quinoid structures >> Substituted Phenols by Protein binding by OASIS
v1.4
Domain
logical expression index: "r"
Referential
boundary:The
target chemical should be classified as Acylation OR Acylation >>
(Tio)carbamoylation of protein nucleophiles OR Acylation >>
(Tio)carbamoylation of protein nucleophiles >> Isothiocyanates,
Isocyanates OR Acylation >> Acylation involving an activated
(glucuronidated) carboxamide group OR Acylation >> Acylation involving
an activated (glucuronidated) carboxamide group >> Carboxylic Acid
Amides OR Acylation >> Acylation involving an activated (glucuronidated)
ester group OR Acylation >> Acylation involving an activated
(glucuronidated) ester group >> Arenecarboxylic Acid Esters OR Acylation
>> Acylation involving an activated (glucuronidated) sulfonamide group
OR Acylation >> Acylation involving an activated (glucuronidated)
sulfonamide group >> Arenesulfonamides OR Acylation >> Direct acylation
involving a leaving group OR Acylation >> Direct acylation involving a
leaving group >> (Thio)Acetates OR Acylation >> Direct acylation
involving a leaving group >> (Thio)Acyl and (thio)carbamoyl halides and
cyanides OR Acylation >> Direct acylation involving a leaving group >>
Anhydrides (sulphur analogues of anhydrides) OR Acylation >> Direct
acylation involving a leaving group >> Azlactones and unsaturated
lactone derivatives OR Acylation >> Direct acylation involving a
leaving group >> Carbamates OR Acylation >> Direct acylation involving
a leaving group >> Carboxylic Acid Amides OR Acylation >> Direct
acylation involving a leaving group >> N-Carbonyl heteroaryl amines OR
Acylation >> Direct acylation involving a leaving group >>
N-Carbonylsulfonamides OR Acylation >> Direct acylation involving a
leaving group >> Sulphonyl halides or cyanides OR Acylation >> Ester
aminolysis OR Acylation >> Ester aminolysis >> Amides OR Acylation >>
Ester aminolysis >> Dithiocarbamates OR Acylation >> Ester aminolysis >>
Dithioesters OR Acylation >> Ester aminolysis or thiolysis OR Acylation
>> Ester aminolysis or thiolysis >> Activated aryl esters OR Acylation
>> Ester aminolysis or thiolysis >> Carbamates OR Acylation >> Ring
opening acylation OR Acylation >> Ring opening acylation >> Active
cyclic agents OR Acylation >> Ring opening acylation >> beta-Lactams
OR AN2 >> Michael addition to activated double bonds OR AN2 >> Michael
addition to activated double bonds >> alpha,beta-Unsaturated Carbonyls
and Related Compounds OR AN2 >> Michael addition to activated double
bonds in heterocyclic ring systems OR AN2 >> Michael addition to
activated double bonds in heterocyclic ring systems >> Pyrazolone and
Pyrazolidine Derivatives OR AN2 >> Michael addition to alpha,
beta-unsaturated acids and esters OR AN2 >> Michael addition to alpha,
beta-unsaturated acids and esters >> alpha,beta-Unsaturated Carboxylic
Acids and Esters OR AN2 >> Michael type addition to activated double
bond of pyrimidine bases OR AN2 >> Michael type addition to activated
double bond of pyrimidine bases >> Pyrimidines and Purines OR AN2 >>
Michael-type addition to activated double bonds in vinyl pyridines OR
AN2 >> Michael-type addition to activated double bonds in vinyl
pyridines >> Ethenyl Pyridines OR AN2 >> Michael-type addition to
quinoid structures >> Carboxylic Acid Amides OR AN2 >> Michael-type
addition to quinoid structures >> Gallic Acid Esters OR AN2 >>
Michael-type addition to quinoid structures >> Hydroxylated Phenols OR
AN2 >> Michael-type addition to quinoid structures >> N-Substituted
Aromatic Amines OR AN2 >> Michael-type addition to quinoid structures
>> Quinoneimine OR AN2 >> Michael-type addition to quinoid structures
>> Substituted Anilines OR AN2 >> Nucleophilic addition at polarized
N-functional double bond OR AN2 >> Nucleophilic addition at polarized
N-functional double bond >> Arenesulfonamides OR AN2 >> Nucleophilic
addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles (hypothesized) OR AN2 >> Nucleophilic addition to
pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles
(hypothesized) >> Heterocyclic Aromatic Amines OR AN2 >> Schiff base
formation with carbonyl compounds (AN2) OR AN2 >> Schiff base formation
with carbonyl compounds (AN2) >> Pyrazolone and Pyrazolidine Derivatives
OR AN2 >> Schiff base formation with carbonyl group of pyrimidine and
purine bases OR AN2 >> Schiff base formation with carbonyl group of
pyrimidine and purine bases >> Pyrimidines and Purines OR AN2 >>
Thiocarbamoylation of protein nucleophiles OR AN2 >> Thiocarbamoylation
of protein nucleophiles >> Isothiocyanates OR AR OR AR >> Radical-type
addition to imino tautomer of aminoacridines OR AR >> Radical-type
addition to imino tautomer of aminoacridines >> Benzoquinoline and
Аcridine derivatives OR Ionic interaction OR Ionic interaction >>
Electrostatic interaction of tetraalkylamonium ion with protein
carboxylates OR Ionic interaction >> Electrostatic interaction of
tetraalkylamonium ion with protein carboxylates >> Tetraalkylammonium
ions OR Michael addition OR Michael addition >> Michae addition on
quinoide type compounds OR Michael addition >> Michae addition on
quinoide type compounds >> Quinone methide(s)/imines; Quinoide oxime
structure; Nitroquinones, Naphthoquinone(s)/imines OR Michael addition
>> Michael addition on alpha,beta-Unsaturated carbonyl compounds OR
Michael addition >> Michael addition on alpha,beta-Unsaturated carbonyl
compounds >> alpha,beta-Aldehydes OR Michael addition >> Michael
addition on conjugated systems with electron withdrawing group OR
Michael addition >> Michael addition on conjugated systems with electron
withdrawing group >> Activated electrophilic ethenylarenes OR Michael
addition >> Michael addition on conjugated systems with electron
withdrawing group >> alpha,beta-Carbonyl compounds with polarized double
bonds OR Michael addition >> Michael addition on conjugated systems
with electron withdrawing group >> Conjugated systems with electron
withdrawing groups OR Michael addition >> Michael addition on
conjugated systems with electron withdrawing group >> Cyanoalkenes OR
Michael addition >> Michael addition on conjugated systems with electron
withdrawing group >> Nitroalkenes OR Michael addition >> Michael
addition on polarised Alkenes OR Michael addition >> Michael addition on
polarised Alkenes >> Polarised Alkene - alkenyl pyridines, pyrazines,
pyrimidines or triazines OR Michael addition >> Michael addition on
polarised Alkenes >> Polarised Alkenes - sulfonates OR Michael addition
>> Michael addition on polarised Alkenes >> Polarised Alkenes - sulfones
OR No alert found OR Nucleophilic addition OR Nucleophilic addition >>
Addition to carbon-hetero double bonds OR Nucleophilic addition >>
Addition to carbon-hetero double bonds >> Ketones OR Nucleophilic
addition >> Nucleophilic addition reaction at polarized N-functional
double bond OR Nucleophilic addition >> Nucleophilic addition reaction
at polarized N-functional double bond >> C-Nitroso compounds OR Radical
reactions OR Radical reactions >> Free radical formation OR Radical
reactions >> Free radical formation >> Organic peroxy compounds OR
Radical reactions >> ROS Generation OR Radical reactions >> ROS
Generation >> Sterically Hindered Piperidine Derivatives OR Radical
reactions >> ROS generation and direct attack of hydroxyl radical to the
C8 position of nucleoside base OR Radical reactions >> ROS generation
and direct attack of hydroxyl radical to the C8 position of nucleoside
base >> Heterocyclic Aromatic Amines OR Schiff base formation OR Schiff
base formation >> Direct acting Schiff base formers OR Schiff base
formation >> Direct acting Schiff base formers >> 1,2-Dicarbonyls and
1,3-Dicarbonyls OR Schiff base formation >> Schiff base formation with
carbonyl compounds OR Schiff base formation >> Schiff base formation
with carbonyl compounds >> Aldehydes OR Schiff base formation >> Schiff
base formation with carbonyl compounds >> Aromatic carbonyl compounds OR
Schiff base formation >> Schiff base on pyrazolones and pyrazolidinones
OR Schiff base formation >> Schiff base on pyrazolones and
pyrazolidinones >> Pyrazolones and Pyrazolidinones 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 SN1 OR
SN1 >> Carbenium ion formation (enzymatic) OR SN1 >> Carbenium ion
formation (enzymatic) >> Carbenium ion OR SN1 >> DNA and protein
alkylation via the formation of alkyldiazonium ion OR SN1 >> DNA and
protein alkylation via the formation of alkyldiazonium ion >>
N-Nitrosoamine Derivatives OR SN1 >> Nucleophilic substitution (SN1) on
alkyl (aryl) mercury cations OR SN1 >> Nucleophilic substitution (SN1)
on alkyl (aryl) mercury cations >> Mercury compounds OR SN2 OR SN2 >>
Cyanoalkylation of proteins via the nucleophilic substitution at
sp3-carbon atom of cyanohydrins OR SN2 >> Cyanoalkylation of proteins
via the nucleophilic substitution at sp3-carbon atom of cyanohydrins >>
Cyanohydrins OR SN2 >> DNA and protein alkylation via the formation of
alkyldiazonium ion OR SN2 >> DNA and protein alkylation via the
formation of alkyldiazonium ion >> N-Nitrosoamine Derivatives OR SN2 >>
Interchange reaction with sulphur containing compounds OR SN2 >>
Interchange reaction with sulphur containing compounds >> Thiols and
disulfide compounds OR SN2 >> Nucleophilic substitution at a Nitrogen
atom OR SN2 >> Nucleophilic substitution at a Nitrogen atom >> N-Nitroso
compounds OR SN2 >> Nucleophilic substitution at sp3 carbon atom OR SN2
>> Nucleophilic substitution at sp3 carbon atom >> Alkyl halides OR SN2
>> Nucleophilic substitution at sp3 carbon atom >> alpha-Activated
haloalkanes OR SN2 >> Nucleophilic substitution at sp3 carbon atom >>
N-Nitroso compounds OR SN2 >> Nucleophilic substitution at sp3 carbon
atom >> Phosphonates OR SN2 >> Nucleophilic substitution at the central
carbon atom of N-nitroso compounds OR SN2 >> Nucleophilic substitution
at the central carbon atom of N-nitroso compounds >> N-Nitroso_compounds
OR SN2 >> Nucleophilic substitution on benzilyc carbon atom OR SN2 >>
Nucleophilic substitution on benzilyc carbon atom >> alpha-Activated
benzyls OR SN2 >> Protein and/or DNA alkylation OR SN2 >> Protein
and/or DNA alkylation >> Dialkyl Alkylphosphonates OR SN2 >> Protein
azidation via an SN2-like reaction OR SN2 >> Protein azidation via an
SN2-like reaction >> Organic sulfonyl azides OR SN2 >> Ring opening
nucleophilic substitution involving arene oxide derivatives and proteins
OR SN2 >> Ring opening nucleophilic substitution involving arene oxide
derivatives and proteins >> Benzoquinoline and Аcridine derivatives OR
SN2 >> Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >>
Epoxides, Aziridines and Sulfuranes OR SN2 >> Ring opening SN2 reaction
>> Mustard compounds OR SN2 >> SN2 Reaction at a sp3 carbon atom OR SN2
>> SN2 Reaction at a sp3 carbon atom >> Activated alkyl esters and
thioesters OR SN2 >> SN2 reaction at a sulfur atom OR SN2 >> SN2
reaction at a sulfur atom >> Thiocyanates OR SN2 >> Thiocyanate
formation via the nucleophilic-type substitution at the disulfide bond
of proteins and enzymes OR SN2 >> Thiocyanate formation via the
nucleophilic-type substitution at the disulfide bond of proteins and
enzymes >> Cyanohydrins OR SNAr OR SNAr >> Nucleophilic aromatic
substitution on activated aryl and heteroaryl compounds OR SNAr >>
Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds >> Activated aryl and heteroaryl compounds OR SNAr >>
Nucleophilic substitution on activated Csp2-atoms in quinolines OR SNAr
>> Nucleophilic substitution on activated Csp2-atoms in quinolines >>
Benzoquinoline and Аcridine derivatives OR SNVinyl OR SNVinyl >> SNVinyl
at a vinylic (sp2) carbon atom OR SNVinyl >> SNVinyl at a vinylic (sp2)
carbon atom >> Vinyl type compounds with electron withdrawing groups 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 by OASIS v1.4
Domain
logical expression index: "s"
Referential
boundary:The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "t"
Referential
boundary:The
target chemical should be classified as Alkali Earth OR Halogens by
Groups of elements
Domain
logical expression index: "u"
Referential
boundary:The
target chemical should be classified as Low (Class I) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "v"
Similarity
boundary:Target:
Cc1cc(C)cc(O)c1C
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.06
Domain
logical expression index: "x"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.97
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin Irritation:
In different studies, 2,3,5-trimethyl phenol 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 predicted data for target chemical 2,3,5-trimethyl phenol and its functionally similar read across substances p-nonylphenol (CAS: 104-40-5) and o-cresol (CAS:95-48-7). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
Skin irritation effects were estimated by four different models i.e, Battery, Leadscope, SciQSAR and CASE Ultra used within Danish QSAR database for 2,3,5 –trimethyl phenol. Based on estimation, severe skin irritation effects were known when 2,3,5 –trimethyl phenol was exposed to rabbit skin.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for 2,3,5-trimethyl phenol. 2,3,5-trimethyl phenol was estimated to be severely irritating to the skin of rabbits.
These results are further supported by the experimental study conducted by Union Carbide Corp (OTS0573384, submitted by UNION CARBIDE CORP, last updated 09/10/82) for the functionally similar read across substance p-nonyl phenol (CAS: 104-40-5). The study was conducted according to DOT regulation 173.1300 Appendix A – Method of Testing Corrosion to Skin (46 FR 49889, October 8. 1981, and effective July 1, 1982) Guidelines in 6 young adult New Zealand White albino rabbits to assess the skin corrosive potential of 4-nonyl phenol. On the day before dosing the hair of each rabbit was closely clipped from the back with an electric clipper, so as to expose the back from the scapular to the lumbar region. The skin at the site remained intact; no abrasions were made.
There was one test site per animal, on the left side of the spinal column. Five-tenths milliliter (0.5 ml) of p-nonyl phenol applied beneath a surgical gauze square, 1inch*1inch was placed directly on the test site and held in place with tape. Plastic sheeting was then wrapped around the animals and secured with tape to retard evaporation and keep the test substance in contact with the skin without undue pressure. Following approximately 4 hours of exposure, the wrappings and gauze squares were removed and the test si tes wiped free of excess test material with castille soap and water. Observations were made for erythema and edema or other evidence of dermal irritation or injury 30 minutes after removal of the occlusive wrapping. i.e., approximately 4.5 hours. Irritation generally consisted of slight or very slight erythema and edema at 4 hours. At termination of the study (48 hours), however all animals exhibited evidence of corrosivity and tissue damage {necrotic skin). The Primary Irritation Index after 48 hours was 4.9.
Based on the score and observations, 4-nonylphenol was considered to be corrosive to skin.
The above results are also supported by the experimental study summarized in International Journal of Toxicology; Volume: 25 issue: 1_suppl, page(s): 29-127; 2006, for the functionally similar read across substance, o-cresol (CAS: 95-48-7). Undiluted o-cresol (volume not specified) was applied to the intact and abraded skin of 6 albino rabbits and effects were observed till 72 hours. Erythema and edema were scored at 24 and 72 hours. Erythema and edema was observed in all rabbits. The Primary dermal irritation score of o-cresol was 8.0(maximum score = 8.0).
Based on the scores and observations, o-cresol can be considered severely irritating to albino rabbit skin.
Based on the available data for the target as well as read across substances and applying the weight of evidence approach,2,3,5-trimethyl phenol was irritating to skin.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Skin 2”.
Eye Irritation:
In different studies, 2,3,5-trimethyl phenol 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 2,3,5-trimethyl phenol and its functionally similar read across substances p-nonylphenol (CAS: 104-40-5) and o-cresol (CAS:95-48-7). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the ocular irritation potential was estimated for 2,3,5-trimethyl phenol. 2,3,5-trimethyl phenol was estimated to be severely irritating to the eyes of New Zealand White rabbits.
This result is supported by the experimental study conducted by MONSANTO CO (OTS0538590, submitted by MONSANTO CO, last updated August 1992) for the functionally similar read across substance p-nonyl phenol (CAS: 104-40-5). The study was performed according to F.H.S.A guidelines.
0.1 ml undiluted p-nonylphenol was instilled into the eyes of 6 New Zealand Albino rabbits for 24 hours. The rabbits were observed for damage to cornea, iris and conjunctivae till 21 days and scored. The following observations were noted till 21 days of observation after instillation of p-nonyl phenol. At 10 minutes, moderate erythema, copious discharge. 1 hour: iris congestion, severe erythema, slight edema , copious discharge. 24 hours: Areas of slight corneal cloudiness, iris showed little or no reaction to light, severe erythema (necrosis), slight to moderate edema . 48- 168 hr: copious discharge with whitish exudates 10 days; slight ulceration in 5 rabbits and 21 days: slight ulceration in 2 rabbits, four scored zero. The mean irritation score for p-nonylphenol at 1, 24, 48, 72, 120 and 168 hours of observation were 21.0, 65.5, 64.8, 44.3, 40.1 and 33.6 respectively. The average irritation score after 72 hours was 58.2.
Based on the scores, p-nonyl phenol was considered to be moderately irritating to rabbit eyes.
The above results are also supported by the experimental study summarized in International Journal of Toxicology; Volume: 25 issue: 1_suppl, page(s): 29-127; 2006, for the functionally similar read across substance, o-cresol (CAS: 95-48-7). Undiluted, 0.1 ml o-cresol was instilled in to the eyes of 9 albino rabbits. Group I had 6 albino rabbits whose eyes remained unwashed throughout the test and Group II had 3 rabbits whose eyes were rinsed 4 seconds after instillation of test chemical.The eyes were scored for damage to cornea, iris and conjunctivae upto 72 hours post instillation. Corneal, iridial and conjunctival effects were observed in all animals (group I and II) throughout the 72 hours observation period.
Hence, o-cresol was considered to be severely irritating to rabbit eyes with or without 4 second washing after instillation.
Based on the available data for the target as well as read across substances and applying the weight of evidence approach,2,3,5-trimethyl phenol was irritating to eyes.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Eye 2”.
Justification for classification or non-classification
Available data for2,3,5-trimethyl phenol suggests that it is likely to cause moderate to severe irritation to eyes and skin.
2,3,5-trimethyl phenol can be classified under the category “Skin 2” and “Eye 2” as per CLP regulation.
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