Ethyl hydroxymethoxybenzoate (CED0165962)

Record Information
Version1.0
Creation Date2026-04-03 13:33:14 UTC
Update Date2026-05-20 19:02:41 UTC
SynCED IDCED0165962
Secondary Accession Numbers
  • CHEM064701
Identification
Common NameEthyl hydroxymethoxybenzoate
ClassSmall Molecule
Description
Ethyl hydroxymethoxybenzoate is an organic compound with the formula C10H12O4 and an average molecular weight of 196.20 g/mol. Ethyl hydroxymethoxybenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been identified in one recorded source, specifically within indoor air, dust, and atmospheric transport. The recorded route of exposure for this substance is inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H12O4
Average Molecular Mass196.202 g/mol
Monoisotopic Mass196.074 g/mol
CAS Registry Number1321-75-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)C1=CC=CC=C1OCO
InChI IdentifierInChI=1S/C10H12O4/c1-2-13-10(12)8-5-3-4-6-9(8)14-7-11/h3-6,11H,2,7H2,1H3
InChI KeyAUYJJTVZTXEPIK-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
2427.0 Log mg/kg [1400:4300]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
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.375
Statistical Significance
0.0014
Supporting Reference Compounds
296
E-value
10.7432
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.383
Statistical Significance
0.0044
Supporting Reference Compounds
425
E-value
34.098
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.375
Statistical Significance
0.0011
Supporting Reference Compounds
226
E-value
8.40772
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.375
Statistical Significance
0.0011
Supporting Reference Compounds
227
E-value
8.40772
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.405
Statistical Significance
0.0145
Supporting Reference Compounds
372
E-value
112.804
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.405
Statistical Significance
0.015
Supporting Reference Compounds
332
E-value
116.774
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.375
Statistical Significance
0.002
Supporting Reference Compounds
166
E-value
15.5698
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 structureClick to view 3D structurePotassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2Q9UL51HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.328
Statistical Significance
3.10e-04
Supporting Reference Compounds
1
E-value
2.41333
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.42
Statistical Significance
1.90e-04
Supporting Reference Compounds
20
E-value
1.47914
Mitochondrial import inner membrane translocase subunit TIM10 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM10P87108Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.353
Statistical Significance
5.40e-04
Supporting Reference Compounds
64
E-value
4.20386
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.405
Statistical Significance
0.0097
Supporting Reference Compounds
172
E-value
75.2023
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.353
Statistical Significance
0.0111
Supporting Reference Compounds
343
E-value
86.3348
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.42
Statistical Significance
0.0245
Supporting Reference Compounds
406
E-value
190.964
Mitochondrial import inner membrane translocase subunit TIM23 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM23P32897Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.348
Statistical Significance
0.0021
Supporting Reference Compounds
75
E-value
16.1148
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.383
Statistical Significance
0.1113
Supporting Reference Compounds
1498
E-value
866.462
Protein-tyrosine kinase 2-beta structureClick to view 3D structureProtein-tyrosine kinase 2-betaQ14289HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.488
Statistical Significance
0.0379
Supporting Reference Compounds
414
E-value
295.049
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.405
Statistical Significance
0.008
Supporting Reference Compounds
174
E-value
62.4351
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.405
Statistical Significance
0.0153
Supporting Reference Compounds
242
E-value
118.798
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.405
Statistical Significance
0.0381
Supporting Reference Compounds
472
E-value
296.995
Potassium channel subfamily K member 3 structureClick to view 3D structurePotassium channel subfamily K member 3O14649HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.392
Statistical Significance
0.004
Supporting Reference Compounds
15
E-value
31.2954
Tegument protein VP16 structureClick to view 3D structureTegument protein VP16P06492Herpes simplex virus (type 1 / strain 17)Predicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.488
Statistical Significance
8.40e-04
Supporting Reference Compounds
75
E-value
6.53933
Pyruvate carboxylase structureClick to view 3D structurePyruvate carboxylaseA0A0H3JRU9Staphylococcus aureus (strain Mu50 / ATCC 700699)Predicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.306
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.356
Statistical Significance
0.0096
Supporting Reference Compounds
118
E-value
74.5796
Nuclear receptor coactivator 3 structureClick to view 3D structureNuclear receptor coactivator 3Q9Y6Q9HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.488
Statistical Significance
5.40e-04
Supporting Reference Compounds
41
E-value
4.20386
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.353
Statistical Significance
0.0018
Supporting Reference Compounds
112
E-value
14.0907
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available