Ethyl-5-methoxysalicylate (CED0156578)

Record Information
Version1.0
Creation Date2026-04-03 18:04:16 UTC
Update Date2026-08-17 23:54:22 UTC
SynCED IDCED0156578
Secondary Accession Numbers
  • CHEM066985
Identification
Common NameEthyl-5-methoxysalicylate
ClassSmall Molecule
Description
Ethyl-5-methoxysalicylate is an organic compound with the formula C10H12O4 and an average molecular weight of 196.20 g/mol. Ethyl-5-methoxysalicylate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has been recorded in indoor air, dust, and atmospheric transport. Exposure to the substance occurs via inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H12O4
Average Molecular Mass196.202 g/mol
Monoisotopic Mass196.074 g/mol
CAS Registry Number22775-40-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)C1=C(O)C=CC(OC)=C1
InChI IdentifierInChI=1S/C10H12O4/c1-3-14-10(12)8-6-7(13-2)4-5-9(8)11/h4-6,11H,3H2,1-2H3
InChI KeyQFDVMOCQOGCDKA-UHFFFAOYSA-N
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 Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2234.0 Log mg/kg [1300:4000]RatLD50oralpredictedNot AvailableNot 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 EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot 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
0.407
Applicability Domain
0.545
Statistical Significance
0.0052
Supporting Reference Compounds
372
E-value
40.5594
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.545
Statistical Significance
0.0023
Supporting Reference Compounds
172
E-value
17.9053
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.545
Statistical Significance
0.0053
Supporting Reference Compounds
332
E-value
41.6493
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
0.545
Statistical Significance
0.0039
Supporting Reference Compounds
242
E-value
30.0498
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.545
Statistical Significance
0.0017
Supporting Reference Compounds
78
E-value
12.923
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.545
Statistical Significance
0.0013
Supporting Reference Compounds
70
E-value
10.2761
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.545
Statistical Significance
0.0031
Supporting Reference Compounds
151
E-value
23.8997
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
0.432
Statistical Significance
0.0113
Supporting Reference Compounds
407
E-value
87.8918
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.545
Statistical Significance
0.0048
Supporting Reference Compounds
193
E-value
37.679
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.432
Statistical Significance
0.0139
Supporting Reference Compounds
472
E-value
108.366
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.381
Statistical Significance
0.0029
Supporting Reference Compounds
136
E-value
22.732
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.381
Statistical Significance
0.0017
Supporting Reference Compounds
57
E-value
13.4679
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.417
Statistical Significance
0.0013
Supporting Reference Compounds
226
E-value
9.809
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.417
Statistical Significance
0.0013
Supporting Reference Compounds
227
E-value
9.809
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.417
Statistical Significance
0.0024
Supporting Reference Compounds
296
E-value
18.9952
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.378
Statistical Significance
0.0019
Supporting Reference Compounds
40
E-value
14.8692
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.341
Statistical Significance
0.0084
Supporting Reference Compounds
201
E-value
65.0819
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.417
Statistical Significance
0.0095
Supporting Reference Compounds
425
E-value
73.9568
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.394
Statistical Significance
0.0105
Supporting Reference Compounds
343
E-value
81.586
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.378
Statistical Significance
0.0032
Supporting Reference Compounds
106
E-value
25.1453
HTH-type transcriptional regulator MgrA structureClick to view 3D structureHTH-type transcriptional regulator MgrAP0C1S0Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.325
Statistical Significance
2.60e-04
Supporting Reference Compounds
1
E-value
2.02408
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.391
Statistical Significance
0.0249
Supporting Reference Compounds
406
E-value
193.689
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.353
Statistical Significance
0.061
Supporting Reference Compounds
906
E-value
474.725
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.417
Statistical Significance
0.0064
Supporting Reference Compounds
109
E-value
49.5121
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.37
Statistical Significance
0.0055
Supporting Reference Compounds
118
E-value
43.2063
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available