(2-prop-2-enylphenyl)methanol (CED0095479)

Record Information
Version1.0
Creation Date2026-08-17 23:42:19 UTC
Update Date2026-08-17 23:42:19 UTC
SynCED IDCED0095479
Secondary Accession Numbers
  • CHEM145192
Identification
Common Name(2-prop-2-enylphenyl)methanol
ClassSmall Molecule
Description
(2-prop-2-enylphenyl)methanol belongs to the benzyl alcohols, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H12O and an average molecular weight of 148.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H12O
Average Molecular Mass148.200 g/mol
Monoisotopic Mass148.089 g/mol
CAS Registry Number84801-07-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C10H12O/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-7,11H,1,5,8H2
InChI KeyQZHICZLAJAPAJT-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
2113.0 Log mg/kg [1200:3800]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
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.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
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.24 Low confidence
Statistical Significance
0.4162
Supporting Reference Compounds
472
E-value
3240.16
Interferon alpha/beta receptor 1 structureClick to view 3D structureInterferon alpha/beta receptor 1P17181HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0035
Supporting Reference Compounds
1
E-value
27.6365
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.24 Low confidence
Statistical Significance
0.344
Supporting Reference Compounds
332
E-value
2678.4
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.265 Low confidence
Statistical Significance
0.388
Supporting Reference Compounds
407
E-value
3020.86
Natural resistance-associated macrophage protein 1 structureClick to view 3D structureNatural resistance-associated macrophage protein 1P49279HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.213 Low confidence
Statistical Significance
8.00e-04
Supporting Reference Compounds
1
E-value
6.22794
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.263 Low confidence
Statistical Significance
0.1289
Supporting Reference Compounds
63
E-value
1003.87
Nischarin structureClick to view 3D structureNischarinQ9Y2I1HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.349
Statistical Significance
0.0194
Supporting Reference Compounds
37
E-value
150.794
Click to view 3D structureSqualene synthaseQ02769Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.372
Statistical Significance
0.0064
Supporting Reference Compounds
12
E-value
49.5121
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.226 Low confidence
Statistical Significance
0.63
Supporting Reference Compounds
562
E-value
4904.66
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.333
Statistical Significance
0.0222
Supporting Reference Compounds
175
E-value
172.514
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.372
Statistical Significance
0.1466
Supporting Reference Compounds
953
E-value
1141.04
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.333
Statistical Significance
0.0069
Supporting Reference Compounds
50
E-value
53.9495
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.333
Statistical Significance
0.0387
Supporting Reference Compounds
106
E-value
301.588
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.333
Statistical Significance
0.0646
Supporting Reference Compounds
182
E-value
502.75
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.333
Statistical Significance
0.1117
Supporting Reference Compounds
200
E-value
869.732
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.372
Statistical Significance
0.2796
Supporting Reference Compounds
541
E-value
2176.35
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.372
Statistical Significance
0.1728
Supporting Reference Compounds
258
E-value
1345.39
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.349
Statistical Significance
0.2916
Supporting Reference Compounds
487
E-value
2270.08
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.372
Statistical Significance
0.1416
Supporting Reference Compounds
180
E-value
1102.11
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.349
Statistical Significance
0.2385
Supporting Reference Compounds
340
E-value
1857.02
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.349
Statistical Significance
0.2425
Supporting Reference Compounds
386
E-value
1888.08
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.289 Low confidence
Statistical Significance
0.487
Supporting Reference Compounds
686
E-value
3791.26
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.263 Low confidence
Statistical Significance
0.0822
Supporting Reference Compounds
108
E-value
639.609
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.372
Statistical Significance
0.1444
Supporting Reference Compounds
145
E-value
1123.91
Click to view 3D structureChaperone protein dnaKC3TRK2Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.217 Low confidence
Statistical Significance
0.0153
Supporting Reference Compounds
1
E-value
119.109
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available