[4-(dimethylamino)phenyl]methanol (CED0036010)

Record Information
Version1.0
Creation Date2026-08-25 11:45:10 UTC
Update Date2026-08-25 11:45:10 UTC
SynCED IDCED0036010
Secondary Accession Numbers
  • CHEM264202
Identification
Common Name[4-(dimethylamino)phenyl]methanol
ClassSmall Molecule
Description
[4-(dimethylamino)phenyl]methanol belongs to the benzyl alcohols, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C9H13NO and an average molecular weight of 151.21 g/mol. It has been found in or released from two recorded sources related to food, food processing, and cookware, specifically during the preparation of vinegar and the preparation of wine or sparkling wine.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H13NO
Average Molecular Mass151.210 g/mol
Monoisotopic Mass151.100 g/mol
CAS Registry Number1703-46-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H13NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-6,11H,7H2,1-2H3
InChI KeyWQBCAASPALGAKX-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
263.0 Log mg/kg [150:470]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
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
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 processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.343
Statistical Significance
0.1335
Supporting Reference Compounds
406
E-value
1039.52
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.268 Low confidence
Statistical Significance
0.0851
Supporting Reference Compounds
185
E-value
662.419
Click to view 3D structureHistone deacetylase HD2Q94F81Zea maysPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.417
Statistical Significance
0.0078
Supporting Reference Compounds
15
E-value
61.1116
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.379
Statistical Significance
0.1143
Supporting Reference Compounds
407
E-value
890.206
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.343
Statistical Significance
0.3537
Supporting Reference Compounds
1301
E-value
2753.68
Deoxyribonuclease-1 structureClick to view 3D structureDeoxyribonuclease-1P24855HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.343
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.343
Statistical Significance
0.0422
Supporting Reference Compounds
553
E-value
328.524
Click to view 3D structurePatatin-like phospholipase domain-containing protein 2Q8BJ56Mus musculusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.3
Statistical Significance
8.50e-04
Supporting Reference Compounds
2
E-value
6.61718
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.325
Statistical Significance
0.074
Supporting Reference Compounds
497
E-value
576.084
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.379
Statistical Significance
0.0414
Supporting Reference Compounds
372
E-value
322.218
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.379
Statistical Significance
0.0564
Supporting Reference Compounds
472
E-value
439.459
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.379
Statistical Significance
0.0396
Supporting Reference Compounds
332
E-value
308.361
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.379
Statistical Significance
0.0085
Supporting Reference Compounds
55
E-value
66.2497
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.317
Statistical Significance
0.0585
Supporting Reference Compounds
307
E-value
455.418
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.379
Statistical Significance
0.0276
Supporting Reference Compounds
172
E-value
214.942
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.379
Statistical Significance
0.0122
Supporting Reference Compounds
78
E-value
94.7425
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.379
Statistical Significance
0.0209
Supporting Reference Compounds
157
E-value
162.861
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.379
Statistical Significance
0.0205
Supporting Reference Compounds
151
E-value
159.28
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.379
Statistical Significance
0.0135
Supporting Reference Compounds
68
E-value
105.019
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0218
Supporting Reference Compounds
109
E-value
169.633
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.308
Statistical Significance
0.0321
Supporting Reference Compounds
114
E-value
250.207
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0508
Supporting Reference Compounds
241
E-value
395.163
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.379
Statistical Significance
0.0126
Supporting Reference Compounds
60
E-value
98.0122
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.379
Statistical Significance
0.0344
Supporting Reference Compounds
193
E-value
267.801
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.343
Statistical Significance
0.2524
Supporting Reference Compounds
707
E-value
1965.3
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available