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EC number: 209-447-8 | CAS number: 579-75-9
- 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
The skin sensitization potential of 2-methoxybenzoic acid (579-75-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 2-methoxybenzoic acid (579-75-9) was predicted to be non sensitizing to the skin of guinea pig.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Remarks:
- 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:
- Prediction is done using OECD QSAR Toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: As mention below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- Not specified.
- Specific details on test material used for the study:
- - Name of the test material: 2-methoxybenzoic acid
- IUPAC name: 2-methoxybenzoic acid
- Molecular formula: C8H8O3
- Molecular weight: 152.1482 g/mol
- Substance type: Organic - Species:
- guinea pig
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals and environmental conditions:
- No data available.
- Route:
- intradermal
- Vehicle:
- not specified
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Day(s)/duration:
- 24 hour
- No. of animals per dose:
- test control -10 animals
- Details on study design:
- No data available.
- Challenge controls:
- No data available.
- Positive control substance(s):
- yes
- Remarks:
- acetylsalicylic acid anhydride (ASAN)
- Statistics:
- No data available.
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Clinical observations:
- No skin sensitization effect were observed.
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitising
- Conclusions:
- The skin sensitization potential of 2-methoxybenzoic acid (579-75-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 2-methoxybenzoic acid (579-75-9) was predicted to be non sensitizing to the skin of guinea pig.
- Executive summary:
The skin sensitization potential of 2-methoxybenzoic acid (579-75-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 2-methoxybenzoic acid (579-75-9) was predicted to be non sensitizing to the skin of guinea pig.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
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" )
and ("h"
and "i" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid AND
Ether by Organic Functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid AND
Ether AND Overlapping groups by Organic Functional groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid, aromatic attach [-COOH]
AND Alcohol, olefinic attach [-OH] AND 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 Miscellaneous sulfide (=S) or oxide (=O) 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 Alkylarylether AND Aromatic
compound AND Carbonic acid derivative AND Carboxylic acid AND Carboxylic
acid derivative AND Ether by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as SN1 OR SN1 >> Nitrenium Ion
formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >>
Nitrenium Ion formation >> Aromatic nitro by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.13
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.8
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
In different studies, 2-methoxybenzoic acid (579-75-9) has been investigated for potential for dermal sensitization to a greater or lesser extent. The prediction and studies are based on in vivo experiments in guinea pig and human for target chemical 2-methoxybenzoic acid (579-75-9) and its structurally similar read across substances2-acetoxybenzoic acid (50-78-2) and Benzoic acid (65-85-0. The predicted data using the OECD QSAR toolbox has also been compared with the experimental data of read across.
The skin sensitization potential of 2-methoxybenzoic acid (579-75-9) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 2-methoxybenzoic acid (579-75-9) was predicted to be non sensitizing to the skin of guinea pig.
Supported by experimental data conducted by OECD SIDS (IUCLID dataset - European Chemicals Bureau, 2000) on structurally similar read across substance 2-acetoxybenzoic acid (50-78-2) in guinea pigs.The read across substances share high similarity in structure and log kow .Therefore, it is acceptable to derive information on skin sensitization from the analogue substance. 2-acetoxybenzoic acid (50-78-2) was assessed for its possible contact allergenic potential in guinea pig. No skin sensitization effects were observed .Therefore 2-acetoxybenzoic acid (50-78-2) was considered to be non sensitizing in guinea pig.
It is further supported byexperimental data conducted by SCCP (SCCP OPINION ON Benzoic Acid and Sodium Benzoate, 2005) on structurally similar read across substanceBenzoic acid (65-85-0)in human.The read across substances share high similarity in structure and log kow .Therefore, it is acceptable to derive information on skin sensitization from the analogue substance. A Human maximization test was observed for Benzoic acid (65 -85 -0) in 25 human volunteers. When 2% concentration of human volunteers in petrolatum was applied as patch tests for five times in 48 hour over a period of 10 days in 25 human volunteers. When challenged 10-14 d after the induction phase with a final 48 h closed patch test with 2 % benzoic acid in petrolatum. No sensitization was observed in any 25 human volunteers. Therefore Benzoic acid was considered to be non sensitizing in human and cannot be classified as skin sensitizer.
Thus based on the above predictions on 2-methoxybenzoic acid (579-75-9) as well as its read across substances and applying weight of evidence, it can be concluded that 2-methoxybenzoic acid is not a skin sensitizer. Thus comparing the above annotations with the criteria of CLP regulation, 2-methoxybenzoic acid (579-75-9) can be considered as not classified for skin sensitization effects.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Thus comparing the above annotations with the criteria of CLP regulation, 2-methoxybenzoic acid (579-75-9) can be considered as not classified for skin sensitization effects.
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