2-ethyl-4,4-dimethyl-1,3-oxathiane (CED0212979)

Record Information

Version

1.0

Creation Date

2026-08-24 17:16:29 UTC

Update Date

2026-08-24 17:16:29 UTC

SynCED ID

CED0212979

Secondary Accession Numbers

CHEM252392

Identification

Common Name

2-ethyl-4,4-dimethyl-1,3-oxathiane

Class

Small Molecule

Description

2-ethyl-4,4-dimethyl-1,3-oxathiane belongs to the oxathianes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C8H16OS and an average molecular weight of 160.28 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₆OS

Average Molecular Mass

160.280 g/mol

Monoisotopic Mass

160.092 g/mol

CAS Registry Number

444880-09-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H16OS/c1-4-7-9-6-5-8(2,3)10-7/h7H,4-6H2,1-3H3

InChI Key

MGCPAMUGCONVKI-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
2262.0 Log mg/kg [1300:4000]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	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
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	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
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	Not Available
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	Not Available
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	Not Available
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	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
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	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

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	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.196 Low confidence Statistical Significance 0.9386 Supporting Reference Compounds 308 E-value 7306.85
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.196 Low confidence Statistical Significance 0.961 Supporting Reference Compounds 562 E-value 7481.47
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.188 Low confidence Statistical Significance 0.9574 Supporting Reference Compounds 385 E-value 7453.36
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.196 Low confidence Statistical Significance 0.9754 Supporting Reference Compounds 953 E-value 7593.72
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.188 Low confidence Statistical Significance 0.9823 Supporting Reference Compounds 1103 E-value 7647.52
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.188 Low confidence Statistical Significance 0.9694 Supporting Reference Compounds 373 E-value 7547.02
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.188 Low confidence Statistical Significance 0.9486 Supporting Reference Compounds 297 E-value 7384.93
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.188 Low confidence Statistical Significance 0.9783 Supporting Reference Compounds 532 E-value 7616.07
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.188 Low confidence Statistical Significance 0.9727 Supporting Reference Compounds 527 E-value 7572.16
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.188 Low confidence Statistical Significance 0.9629 Supporting Reference Compounds 425 E-value 7495.79
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.188 Low confidence Statistical Significance 0.9633 Supporting Reference Compounds 310 E-value 7499.45
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 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 1 E-value 16.1926
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.188 Low confidence Statistical Significance 0.9851 Supporting Reference Compounds 861 E-value 7669.32
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.188 Low confidence Statistical Significance 0.9707 Supporting Reference Compounds 427 E-value 7556.51
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.196 Low confidence Statistical Significance 0.9894 Supporting Reference Compounds 686 E-value 7702.32
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.188 Low confidence Statistical Significance 0.9858 Supporting Reference Compounds 487 E-value 7674.61
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.188 Low confidence Statistical Significance 0.9868 Supporting Reference Compounds 506 E-value 7682.47
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.188 Low confidence Statistical Significance 0.9856 Supporting Reference Compounds 451 E-value 7672.9
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.188 Low confidence Statistical Significance 0.986 Supporting Reference Compounds 507 E-value 7675.93
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.171 Low confidence Statistical Significance 0.0199 Supporting Reference Compounds 2 E-value 154.686
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.188 Low confidence Statistical Significance 0.9861 Supporting Reference Compounds 565 E-value 7676.63
Click to view 3D structure	Presenilin-2	P49810	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.149 Low confidence Statistical Significance 0.0482 Supporting Reference Compounds 1 E-value 375.0
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.167 Low confidence Statistical Significance 0.7742 Supporting Reference Compounds 56 E-value 6026.85
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.188 Low confidence Statistical Significance 0.9939 Supporting Reference Compounds 823 E-value 7737.43
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.167 Low confidence Statistical Significance 0.8487 Supporting Reference Compounds 186 E-value 6607.06