(S)-1,2-epoxypropane (CED0047261)

Record Information

Version

1.0

Creation Date

2026-04-05 22:02:35 UTC

Update Date

2026-04-17 15:35:16 UTC

SynCED ID

CED0047261

Secondary Accession Numbers

CHEM110401

Identification

Common Name

(S)-1,2-epoxypropane

Class

Small Molecule

Description

(S)-1,2-epoxypropane belongs to the epoxides, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C3H6O and an average molecular weight of 58.08 g/mol. It has been identified in two recorded sources, specifically household items such as coins and drinking water from water supplies. The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₆O

Average Molecular Mass

Not Available

Monoisotopic Mass

58.042 g/mol

CAS Registry Number

16088-62-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1CO1

InChI Identifier

InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3

InChI Key

GOOHAUXETOMSMM-VKHMYHEASA-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
233.0 Log mg/kg [130:410]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
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	Not Available
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	Not Available
CEDs000544	Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.	Food, food processing & cookware	Not Available
CEDs000561	Perfumes 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 products	Not Available
CEDs000571	Coins?Coins can serve as a source of synthetic chemical contamination due to their production processes and the materials used in their composition.	Household items	Not Available
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	Not Available
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	Not Available
CEDs000614	Essential 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 & cosmetics	Not Available
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	Not Available
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	Not Available
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	Not Available
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	Not Available
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	Not Available
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	Not Available
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	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

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	Spermidine synthase	Q6QA75	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 7.00e-05 Supporting Reference Compounds 1 E-value 0.544945
Click to view 3D structure	Spermidine synthase	Q4CXJ6	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 7.00e-05 Supporting Reference Compounds 1 E-value 0.544945
Click to view 3D structure	Spermidine synthase	Q9NFS5	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 7.00e-05 Supporting Reference Compounds 1 E-value 0.544945
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.28 Low confidence Statistical Significance 0.7421 Supporting Reference Compounds 373 E-value 5777.27
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.28 Low confidence Statistical Significance 0.6532 Supporting Reference Compounds 297 E-value 5085.42
Click to view 3D structure	Chitinase-3-like protein 1	P36222	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.18 Low confidence Statistical Significance 0.0904 Supporting Reference Compounds 14 E-value 704.146
Click to view 3D structure	Acidic mammalian chitinase	Q9BZP6	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.18 Low confidence Statistical Significance 0.1218 Supporting Reference Compounds 26 E-value 948.126
Click to view 3D structure	Chitotriosidase-1	Q13231	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.18 Low confidence Statistical Significance 0.1224 Supporting Reference Compounds 21 E-value 952.719
Click to view 3D structure	Plasma alpha-L-fucosidase	Q9BTY2	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.227 Low confidence Statistical Significance 6.00e-04 Supporting Reference Compounds 2 E-value 4.67095
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.18 Low confidence Statistical Significance 0.9906 Supporting Reference Compounds 1498 E-value 7712.13
Click to view 3D structure	Chitinase-3-like protein 2	Q15782	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.18 Low confidence Statistical Significance 0.0945 Supporting Reference Compounds 4 E-value 736.064
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 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.8877
Click to view 3D structure	Cytochrome P450 2E1	P05182	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.0527 Supporting Reference Compounds 3 E-value 410.577
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.269 Low confidence Statistical Significance 0.9912 Supporting Reference Compounds 310 E-value 7716.34
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.269 Low confidence Statistical Significance 0.9893 Supporting Reference Compounds 266 E-value 7701.78
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.167 Low confidence Statistical Significance 0.9925 Supporting Reference Compounds 406 E-value 7726.54
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.152 Low confidence Statistical Significance 0.8702 Supporting Reference Compounds 63 E-value 6774.28
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.159 Low confidence Statistical Significance 0.9965 Supporting Reference Compounds 1103 E-value 7757.91
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.154 Low confidence Statistical Significance 0.996 Supporting Reference Compounds 562 E-value 7754.09
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.159 Low confidence Statistical Significance 0.9967 Supporting Reference Compounds 861 E-value 7759.54
Click to view 3D structure	Chitinase-3-like protein 1	Q61362	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.18 Low confidence Statistical Significance 0.3258 Supporting Reference Compounds 7 E-value 2536.72
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.185 Low confidence Statistical Significance 0.9961 Supporting Reference Compounds 385 E-value 7754.79
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.28 Low confidence Statistical Significance 0.9793 Supporting Reference Compounds 128 E-value 7623.77
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.154 Low confidence Statistical Significance 0.9692 Supporting Reference Compounds 207 E-value 7544.83
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.28 Low confidence Statistical Significance 0.968 Supporting Reference Compounds 75 E-value 7535.73