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EC number: 205-851-3 | CAS number: 156-38-7
- 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 Sensitization:
The skin sensitization potential of 4-Hydroxyphenylacetic Acid was estimated by SSS (2018) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. 4-Hydroxyphenylacetic Acid was predicted to be not sensitizing to the skin of Hartley female guinea pigs.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation
- 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:
- 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
- Type of study:
- other: Estimated data
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material: p-hydroxyphenylacetic acid
- IUPAC name: 4-Hydroxyphenylacetic Acid
- Molecular formula: C8H8O3
- Molecular weight: 152.148 g/mole
- Smiles : c1(ccc(O)cc1)CC(O)=O
- Inchl: 1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
- Substance type: Organic
- Physical state: Solid crystalline powder (off white) - Species:
- guinea pig
- Strain:
- Hartley
- Sex:
- female
- Details on test animals and environmental conditions:
- no data available
- Route:
- intradermal and epicutaneous
- Vehicle:
- not specified
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- no data available
- Details on study design:
- no data available
- Challenge controls:
- no data available
- Positive control substance(s):
- not specified
- Concentration:
- no data available
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- No reactions observed
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: Negative
- Conclusions:
- 4-Hydroxyphenylacetic Acid was predicted to be not sensitizing to the skin of Hartley female guinea pigs.
- Executive summary:
The skin sensitization potential of 4-Hydroxyphenylacetic Acid was estimated by SSS (2018) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. 4-Hydroxyphenylacetic Acid was predicted to be not sensitizing to the skin of Hartley female guinea pigs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and "h" )
and ("i"
and (
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 (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and ("ac"
and "ad" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Phenols (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Weak binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Class 2 (less inert compounds)
by Acute aquatic toxicity classification by Verhaar (Modified)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Phenols by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction OR
Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
Side Chain OR Non-covalent interaction >> DNA intercalation >>
Fused-Ring Primary Aromatic Amines 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 >> Polynitroarenes OR Radical >>
Radical mechanism via ROS formation (indirect) OR Radical >> Radical
mechanism via ROS formation (indirect) >> Fused-Ring Primary Aromatic
Amines 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) >> Nitrophenols,
Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >> Radical
mechanism via ROS formation (indirect) >> Single-Ring Substituted
Primary Aromatic Amines OR SN1 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 >> Fused-Ring Primary Aromatic Amines OR SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Single-Ring
Substituted Primary Aromatic Amines OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation 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 >> Nitrophenols,
Nitrophenyl Ethers and Nitrobenzoic Acids OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Polynitroarenes OR SN2 OR
SN2 >> Alkylation, direct acting epoxides and related OR SN2 >>
Alkylation, direct acting epoxides and related >> Epoxides and
Aziridines 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 >> Alkylphosphates, Alkylthiophosphates and
Alkylphosphonates OR SN2 >> Nucleophilic substitution at sp3 Carbon atom
OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes
Containing Heteroatom OR SN2 >> SN2 at an activated carbon atom OR SN2
>> SN2 at an activated carbon atom >> Quinoline Derivatives 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.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3 ONLY
Domain
logical expression index: "i"
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: "j"
Referential
boundary: The
target chemical should be classified as Moderately reactive (GSH) OR
Moderately reactive (GSH) >> Alkyl 2-alkenoates (MA) by Protein binding
potency
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Phenols by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "l"
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: "m"
Referential
boundary: The
target chemical should be classified as Phenols by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Sulfonic acids or their salts by
Skin irritation/corrosion Inclusion rules by BfR
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 Alkali Earth OR 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 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid AND
Phenol AND Precursors quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid AND
Phenol AND Precursors quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid AND
Phenol AND Precursors quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid AND
Phenol AND Precursors quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid AND
Phenol AND Precursors quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Oxyphenistain (Hepatotoxicity)
Alert by Repeated dose (HESS)
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Chlorphentermine
(Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "ac"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.269
Domain
logical expression index: "ad"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.51
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin Sensitization:
Various studies were summarized to ascertain the degree of dermal sensitization caused by 4-Hydroxyphenylacetic Acid in living organisms.The studies are based on in vivo experiments in humans, guinea pigs, mice along with predicted data for target chemical and its structurally similar read across substances,4 methoxy phenylacetic acid (MPAA) [CAS: 104-01-8], 4-Hydroxybenzoic acid[CAS: 99-96-7] and Phenylacetic acid[CAS: 103-82-2].The predicted data using the OECD QSAR toolbox v3.3 has also been compared with the experimental data.
The skin sensitization potential of 4-Hydroxyphenylacetic Acid was estimated by SSS (2018) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor. 4 -Hydroxyphenylacetic Acid was predicted to be not sensitizing to the skin of Hartley female guinea pigs.
This is supported by the experimental study summarized in National Technical Information Service, OTS0530656-1 (1991); forthe structurally similar read across chemical,4 methoxy phenylacetic acid (MPAA) [CAS: 104-01-8]. The shaved skin of twenty Hartley male guinea pigs was treated with the test material (a solid) by intrademal injection (as a 5% solution in propylene glycol as vehicle with and without Freund's adjuvant) and then by topical application (5% in propylene glycol) eight days later. Two weeks after the final induction administration, animals were challenged with the test material as a 75% preparation in petrolatum using a 24-hour dermal exposure. Ten non-induced animals were also challenged and Served as control. The site of exposure was examined for erythema and edema 24 and 48 hours following removal of the test material. 'The dose levels for challenge (75% in petrolatum) was based on a topical range-finding study to select the highest non-irritating dose which was also the highest practical dose for this material. At the 24hour examination, 1/20 animals demonstrated a slight response to the challenge dose no animal demonstrated a response at the 48 hour examination. Negative controls showed minimal response with 1/10 animals showing minimal irritation at 24 hours only. Positive control (DNCB) demonstrated a 100% response. 4-Methoxyphenylacetic Acid (MPAA) was found to be a non sensitizing to guinea pig under test condition. Therefore 4-Methoxyphenylacetic Acid (MPAA, CAS no-104 -1 -8) was considered to be a non sensitizing .
These results are further supported by the experimental study summarized in SIDS Initial Assessment Report For 4-HYDROXYBENZOIC ACID CAS N°: 99-96-7- OECD SIDS- June 29-July 1, 1999; for the structurally similar read across chemical, 4-Hydroxybenzoic acid[CAS: 99-96-7]. In this assay, 4 animals were inducted by daily topical application of 2.5 – 15.0 % for three consecutive days. Five days after the initiation of exposure, [3H] methyl thymidine was injected and the labeling in lymph node cells was measured. The ratio of labeling incorporation by tested lymph node cells to that recorded for control lymph node cells, (T/C) ratio was 0.6 – 1.5 (more than 3.0 is positive).
Since the (T/C) ratio was less than 3, the test chemical 4-Hydroxybenzoic acid (CAS No: 99-96-7) was considered to be non-sensitizing in Mouse local lymph node assay (LLNA).
The above results were supported by the experimental study summarized in Food and Cosmetics Toxicology Volume(issue)/page/year: 13,901,1975; for the structurally similar read across substance, Phenylacetic acid[CAS: 103-82-2]. Phenylacetic acid 2% in petrolatum was applied to skin of 25 human volunteers and observed for dermal reactions (duration of exposure and observation period not mentioned). No skin reactions were observed. Hence, Phenylacetic acid can be considered as not skin sensitizer for human skin.
Based on the available data for the target and applying the weight of evidence approach, 4-Hydroxyphenylacetic Acid was considered not sensitizing to skin.Comparing the above annotations with the criteria of CLP regulation, test chemical can be classified under the category “Not Classified”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Available data for 4-Hydroxyphenylacetic Acid indicates that it is not likely to cause any dermal sensitization to skin.
4-Hydroxyphenylacetic Acid can be considered to be not sensitizer to skin and can be classified under the category “Not Classified” as per CLP regulation.
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