Ethane-1,1,2,2-tetrol (CED0170861)

Record Information

Version

1.0

Creation Date

2026-04-05 03:13:44 UTC

Update Date

2026-04-05 03:13:44 UTC

SynCED ID

CED0170861

Secondary Accession Numbers

CHEM091079

Identification

Common Name

Ethane-1,1,2,2-tetrol

Class

Small Molecule

Description

Ethane-1,1,2,2-tetrol is an organic compound with the formula C2H6O4 and an average molecular weight of 94.07 g/mol. Ethane-1,1,2,2-tetrol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This substance is identified as being found in or released from one recorded source: electrical and electronic equipment, specifically thin magnetic films.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂H₆O₄

Average Molecular Mass

94.066 g/mol

Monoisotopic Mass

94.027 g/mol

CAS Registry Number

44307-07-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(O)C(O)O

InChI Identifier

InChI=1/C2H6O4/c3-1(4)2(5)6/h1-6H

InChI Key

AXCZRQHGMPTZPR-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
4050.0 Log mg/kg [2300:7200]	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
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	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
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
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	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	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.148 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 1 E-value 25.6124
Click to view 3D structure	Mandelate racemase	P11444	Pseudomonas putida	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.136 Low confidence Statistical Significance 0.1123 Supporting Reference Compounds 1 E-value 874.169
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.136 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 16.8933
Click to view 3D structure	TyR1	H9TVJ1	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.0441 Supporting Reference Compounds 1 E-value 343.159
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.0333 Supporting Reference Compounds 1 E-value 259.238
Click to view 3D structure	Alpha-2A adrenergic receptor	Q01338	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.12 Low confidence Statistical Significance 0.101 Supporting Reference Compounds 1 E-value 786.433
Click to view 3D structure	Alpha-2C adrenergic receptor	Q01337	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.12 Low confidence Statistical Significance 0.101 Supporting Reference Compounds 1 E-value 786.433
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.0383 Supporting Reference Compounds 2 E-value 298.085
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.0331 Supporting Reference Compounds 1 E-value 257.992
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.12 Low confidence Statistical Significance 0.9833 Supporting Reference Compounds 43 E-value 7654.91
Click to view 3D structure	Beta-2 adrenergic receptor	P54833	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.12 Low confidence Statistical Significance 0.9309 Supporting Reference Compounds 19 E-value 7246.67
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.108 Applicability Domain 0.12 Low confidence Statistical Significance 0.9531 Supporting Reference Compounds 37 E-value 7420.04
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.12 Low confidence Statistical Significance 0.7103 Supporting Reference Compounds 16 E-value 5529.4
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.12 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 258 E-value 7779.08
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.12 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 376 E-value 7779.71
Click to view 3D structure	Beta-2 adrenergic receptor	P10608	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.12 Low confidence Statistical Significance 0.9595 Supporting Reference Compounds 24 E-value 7469.32
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.12 Low confidence Statistical Significance 0.9839 Supporting Reference Compounds 48 E-value 7659.51
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.12 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 487 E-value 7783.21
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	Prediction Confidence Score 0.104 Applicability Domain 0.12 Low confidence Statistical Significance 0.999 Supporting Reference Compounds 145 E-value 7777.45
Click to view 3D structure	Phosphoheptose isomerase	Q93UJ2	Burkholderia pseudomallei (strain K96243)	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.103 Low confidence Statistical Significance 0.0083 Supporting Reference Compounds 1 E-value 65.0041
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.103 Low confidence Statistical Significance 0.0513 Supporting Reference Compounds 1 E-value 399.678
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.103 Low confidence Statistical Significance 0.0195 Supporting Reference Compounds 2 E-value 151.962
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.103 Applicability Domain 0.12 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 386 E-value 7782.35
Click to view 3D structure	Taste receptor type 2 member 50	P59544	Humans	Predicted (SEA)	Prediction Confidence Score 0.1 Applicability Domain 0.1 Low confidence Statistical Significance 0.3807 Supporting Reference Compounds 1 E-value 2964.03
Click to view 3D structure	Taste receptor type 2 member 45	P59539	Humans	Predicted (SEA)	Prediction Confidence Score 0.1 Applicability Domain 0.1 Low confidence Statistical Significance 0.3807 Supporting Reference Compounds 1 E-value 2964.03