[3-(hydroxymethyl)oxetan-3-yl]methanol (CED0166163)

Record Information

Version

1.0

Creation Date

2026-08-22 20:05:58 UTC

Update Date

2026-08-22 20:05:58 UTC

SynCED ID

CED0166163

Secondary Accession Numbers

CHEM220861

Identification

Common Name

[3-(hydroxymethyl)oxetan-3-yl]methanol

Class

Small Molecule

Description

[3-(hydroxymethyl)oxetan-3-yl]methanol belongs to the oxetanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C5H10O3 and an average molecular weight of 118.13 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₁₀O₃

Average Molecular Mass

118.130 g/mol

Monoisotopic Mass

118.063 g/mol

CAS Registry Number

2754-18-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C5H10O3/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2

InChI Key

QSGREIXRTDCBHO-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
3568.0 Log mg/kg [2000:6300]	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
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
CEDs000613	Depilatories?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 & cosmetics	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
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
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

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 0.195 Applicability Domain 0.195 Low confidence Statistical Significance 8.70e-04 Supporting Reference Compounds 1 E-value 6.77288
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.182 Low confidence Statistical Significance 0.0105 Supporting Reference Compounds 2 E-value 81.586
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.194 Low confidence Statistical Significance 0.0058 Supporting Reference Compounds 25 E-value 45.5418
Click to view 3D structure	Alpha-galactosidase	Q42656	Coffea arabica	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.222 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 12 E-value 46.3981
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.194 Low confidence Statistical Significance 0.0576 Supporting Reference Compounds 30 E-value 448.567
Click to view 3D structure	Sodium channel protein type 11 subunit alpha	O88457	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 1.80e-04 Supporting Reference Compounds 1 E-value 1.40129
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.171 Low confidence Statistical Significance 0.0345 Supporting Reference Compounds 21 E-value 268.346
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.194 Low confidence Statistical Significance 0.0271 Supporting Reference Compounds 14 E-value 210.894
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.171 Low confidence Statistical Significance 0.0119 Supporting Reference Compounds 21 E-value 92.4849
Click to view 3D structure	Galactocerebrosidase	P54818	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.139 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 1 E-value 35.7328
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.158 Low confidence Statistical Significance 0.1124 Supporting Reference Compounds 18 E-value 875.337
Click to view 3D structure	WD repeat-containing protein 91	A4D1P6	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.3038 Supporting Reference Compounds 1 E-value 2365.37
Click to view 3D structure	Alpha-galactosidase C	Q9UUZ4	Aspergillus niger	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.133 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 16.8154
Click to view 3D structure	Voltage-dependent calcium channel subunit alpha-2/delta-1	P54290	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.161 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 2 E-value 26.6244
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.154 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 1245 E-value 7775.97
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.133 Low confidence Statistical Significance 0.9937 Supporting Reference Compounds 258 E-value 7736.19
Click to view 3D structure	Alpha-glucosidase MAL62	P07265	Saccharomyces cerevisiae	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.138 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 2 E-value 15.8812
Click to view 3D structure	Lactase/phlorizin hydrolase	Q02401	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.133 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 7 E-value 23.744
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.148 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 955 E-value 7777.6
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.133 Low confidence Statistical Significance 0.9927 Supporting Reference Compounds 189 E-value 7727.86
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.13 Low confidence Statistical Significance 0.9978 Supporting Reference Compounds 681 E-value 7767.8
Click to view 3D structure	Glycogen debranching enzyme	P35573	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.138 Low confidence Statistical Significance 0.0079 Supporting Reference Compounds 8 E-value 61.6566
Click to view 3D structure	Protein kinase C alpha type	P20444	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.133 Low confidence Statistical Significance 0.2263 Supporting Reference Compounds 7 E-value 1761.88
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.14 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 1498 E-value 7779.47
Click to view 3D structure	Voltage-dependent calcium channel alpha2delta subunit	O77773	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.161 Low confidence Statistical Significance 0.0047 Supporting Reference Compounds 4 E-value 36.7448