(3-methyloxetan-3-yl)methanol (CED0048340)

Record Information

Version

1.0

Creation Date

2026-08-22 20:02:18 UTC

Update Date

2026-08-22 20:02:18 UTC

SynCED ID

CED0048340

Secondary Accession Numbers

CHEM220807

Identification

Common Name

(3-methyloxetan-3-yl)methanol

Class

Small Molecule

Description

(3-methyloxetan-3-yl)methanol belongs to the oxetanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C5H10O2 and an average molecular weight of 102.13 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₁₀O₂

Average Molecular Mass

102.130 g/mol

Monoisotopic Mass

102.068 g/mol

CAS Registry Number

3143-02-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3

InChI Key

NLQMSBJFLQPLIJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2922.0 Log mg/kg [1600:5200]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?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 Equipment	PubChem
CEDs000524	Hybrid 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 Equipment	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Asialoglycoprotein receptor 1	P07306	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.214 Low confidence Statistical Significance 3.30e-04 Supporting Reference Compounds 1 E-value 2.56902
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.206 Low confidence Statistical Significance 0.0058 Supporting Reference Compounds 2 E-value 44.919
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.242 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 25 E-value 22.5763
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.242 Low confidence Statistical Significance 0.0173 Supporting Reference Compounds 30 E-value 134.601
Click to view 3D structure	Alpha-galactosidase	Q42656	Coffea arabica	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.242 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 12 E-value 28.8042
Click to view 3D structure	Electron transfer flavoprotein subunit beta	P38117	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0709 Supporting Reference Compounds 1 E-value 551.717
Click to view 3D structure	Prostaglandin reductase 1	P97584	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.6236
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 19.0731
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.194 Low confidence Statistical Significance 0.0216 Supporting Reference Compounds 21 E-value 167.999
Click to view 3D structure	Sodium channel protein type 11 subunit alpha	O88457	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.149 Low confidence Statistical Significance 3.50e-04 Supporting Reference Compounds 1 E-value 2.72472
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.194 Low confidence Statistical Significance 0.01 Supporting Reference Compounds 21 E-value 77.6157
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.164 Low confidence Statistical Significance 0.9891 Supporting Reference Compounds 681 E-value 7700.38
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.163 Low confidence Statistical Significance 0.9857 Supporting Reference Compounds 308 E-value 7673.99
Click to view 3D structure	MAP/microtubule affinity-regulating kinase 3	P27448	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.207 Low confidence Statistical Significance 0.9861 Supporting Reference Compounds 627 E-value 7677.02
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.163 Low confidence Statistical Significance 0.9907 Supporting Reference Compounds 373 E-value 7712.76
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.163 Low confidence Statistical Significance 0.9857 Supporting Reference Compounds 297 E-value 7673.91
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.182 Low confidence Statistical Significance 0.0315 Supporting Reference Compounds 14 E-value 245.459
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.148 Low confidence Statistical Significance 0.9794 Supporting Reference Compounds 258 E-value 7624.55
Click to view 3D structure	Beta-glucosidase A	P10482	Caldicellulosiruptor saccharolyticus	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.175 Low confidence Statistical Significance 6.60e-04 Supporting Reference Compounds 2 E-value 5.13805
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.163 Low confidence Statistical Significance 0.9924 Supporting Reference Compounds 562 E-value 7725.6
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.163 Low confidence Statistical Significance 0.995 Supporting Reference Compounds 686 E-value 7746.0
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.163 Low confidence Statistical Significance 0.9897 Supporting Reference Compounds 310 E-value 7704.74
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.163 Low confidence Statistical Significance 0.9935 Supporting Reference Compounds 953 E-value 7734.63
Click to view 3D structure	Dipeptidase 1	P22412	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0138 Supporting Reference Compounds 1 E-value 107.743
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.163 Low confidence Statistical Significance 0.9923 Supporting Reference Compounds 385 E-value 7725.29