4-Acetylaminobenzoate (CED0098167)

Record Information
Version1.0
Creation Date2026-04-06 09:17:24 UTC
Update Date2026-05-21 09:58:50 UTC
SynCED IDCED0098167
Secondary Accession Numbers
  • CHEM121389
Identification
Common Name4-Acetylaminobenzoate
ClassSmall Molecule
Description
4-Acetylaminobenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized under the superclass of benzenoids. It has been identified in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the sector of textiles, leather and furnishings, it is associated with carpets, rugs, and synthetic textiles. Its presence is also noted in food packaging within the food, food processing and cookware sector. Additionally, it is found in medical devices from the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, the compound is found in lubricants. It is also present in one additional sector. Recorded exposure routes for 4-acetylaminobenzoate include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)/p-1
InChI KeyQCXJEYYXVJIFCE-UHFFFAOYSA-M
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.429
Statistical Significance
0.0083
Supporting Reference Compounds
372
E-value
64.4592
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.429
Statistical Significance
0.0109
Supporting Reference Compounds
472
E-value
84.5443
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.429
Statistical Significance
0.0079
Supporting Reference Compounds
332
E-value
61.2673
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.429
Statistical Significance
0.0096
Supporting Reference Compounds
407
E-value
74.9688
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.429
Statistical Significance
0.0057
Supporting Reference Compounds
242
E-value
44.7633
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.429
Statistical Significance
0.004
Supporting Reference Compounds
172
E-value
31.5289
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.429
Statistical Significance
0.0033
Supporting Reference Compounds
151
E-value
25.6902
Click to view 3D structureOrganic anion transporter 3O88909Mus musculusPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.359
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.429
Statistical Significance
0.0071
Supporting Reference Compounds
193
E-value
55.5065
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.429
Statistical Significance
0.0081
Supporting Reference Compounds
165
E-value
63.4471
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
0.0025
Supporting Reference Compounds
1
E-value
19.618
Click to view 3D structureCarbonic anhydraseQ2PCB5Dicentrarchus labraxPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.429
Statistical Significance
1.50e-04
Supporting Reference Compounds
9
E-value
1.16774
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.341
Statistical Significance
0.0025
Supporting Reference Compounds
82
E-value
19.3845
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.429
Statistical Significance
0.0101
Supporting Reference Compounds
157
E-value
78.5499
Retinoic acid receptor RXR-beta structureClick to view 3D structureRetinoic acid receptor RXR-betaP28702HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.341
Statistical Significance
7.30e-04
Supporting Reference Compounds
31
E-value
5.68299
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.325
Statistical Significance
0.0012
Supporting Reference Compounds
47
E-value
9.73115
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.318
Statistical Significance
0.0026
Supporting Reference Compounds
52
E-value
20.2408
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.318
Statistical Significance
0.0026
Supporting Reference Compounds
53
E-value
20.63
Click to view 3D structureRetinoic acid receptor RXR-gammaP28705Mus musculusPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.318
Statistical Significance
6.30e-04
Supporting Reference Compounds
20
E-value
4.9045
Click to view 3D structureRetinoic acid receptor RXR-betaP28704Mus musculusPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.318
Statistical Significance
6.30e-04
Supporting Reference Compounds
19
E-value
4.9045
Protein Tat structureClick to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.351
Statistical Significance
0.0027
Supporting Reference Compounds
108
E-value
20.7079
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.429
Statistical Significance
0.0082
Supporting Reference Compounds
78
E-value
64.1478
Retinoic acid receptor RXR-gamma structureClick to view 3D structureRetinoic acid receptor RXR-gammaP48443HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.318
Statistical Significance
7.40e-04
Supporting Reference Compounds
31
E-value
5.76084
Carbonic anhydrase 3 structureClick to view 3D structureCarbonic anhydrase 3P07451HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.429
Statistical Significance
0.0051
Supporting Reference Compounds
64
E-value
39.9366
Cellular retinoic acid-binding protein 2 structureClick to view 3D structureCellular retinoic acid-binding protein 2P29373HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.295 Low confidence
Statistical Significance
6.90e-04
Supporting Reference Compounds
1
E-value
5.3716
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available