2,3-bis(prop-2-enoxy)propan-1-ol (CED0315467)

Record Information

Version

1.0

Creation Date

2026-09-01 16:09:19 UTC

Update Date

2026-09-01 16:09:19 UTC

SynCED ID

CED0315467

Secondary Accession Numbers

CHEM361408

Identification

Common Name

2,3-bis(prop-2-enoxy)propan-1-ol

Class

Small Molecule

Description

2,3-bis(prop-2-enoxy)propan-1-ol is a chemical compound with the formula C9H16O3 and an average molecular weight of 172.22 g/mol. It has been identified as being found in or released from one recorded source: Electrical & Electronic Equipment (Television Systems).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₆O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

172.110 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C=CCOCC(CO)OCC=C

InChI Identifier

InChI=1S/C9H16O3/c1-3-5-11-8-9(7-10)12-6-4-2/h3-4,9-10H,1-2,5-8H2

InChI Key

BWDHJINUKACSDS-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
2577.0 Log mg/kg [1400:4600]	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
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
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	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
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	Mitochondrial 2-oxodicarboxylate carrier	Q9BQT8	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.16 Low confidence Statistical Significance 0.0252 Supporting Reference Compounds 1 E-value 196.024
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.233 Low confidence Statistical Significance 0.9451 Supporting Reference Compounds 258 E-value 7357.76
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.217 Low confidence Statistical Significance 0.9304 Supporting Reference Compounds 175 E-value 7242.94
Click to view 3D structure	Protein kinase C alpha type	P04409	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.233 Low confidence Statistical Significance 0.0097 Supporting Reference Compounds 8 E-value 75.2802
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0079 Supporting Reference Compounds 1 E-value 61.8901
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.0059 Supporting Reference Compounds 2 E-value 45.7753
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.178 Low confidence Statistical Significance 0.3316 Supporting Reference Compounds 21 E-value 2581.79
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.217 Low confidence Statistical Significance 0.9744 Supporting Reference Compounds 200 E-value 7585.47
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.178 Low confidence Statistical Significance 0.0109 Supporting Reference Compounds 3 E-value 84.9335
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.173 Low confidence Statistical Significance 0.9924 Supporting Reference Compounds 953 E-value 7725.68
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.217 Low confidence Statistical Significance 0.882 Supporting Reference Compounds 83 E-value 6866.53
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.178 Low confidence Statistical Significance 0.7487 Supporting Reference Compounds 31 E-value 5828.65
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.157 Low confidence Statistical Significance 0.9959 Supporting Reference Compounds 823 E-value 7753.16
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.178 Low confidence Statistical Significance 0.7292 Supporting Reference Compounds 30 E-value 5676.92
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.157 Low confidence Statistical Significance 0.9954 Supporting Reference Compounds 861 E-value 7749.35
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.217 Low confidence Statistical Significance 0.7681 Supporting Reference Compounds 39 E-value 5979.83
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.157 Low confidence Statistical Significance 0.9974 Supporting Reference Compounds 955 E-value 7765.07
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.2 Low confidence Statistical Significance 0.9588 Supporting Reference Compounds 70 E-value 7464.03
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.157 Low confidence Statistical Significance 0.9938 Supporting Reference Compounds 340 E-value 7736.42
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.178 Low confidence Statistical Significance 0.1528 Supporting Reference Compounds 9 E-value 1189.85
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.157 Low confidence Statistical Significance 0.9968 Supporting Reference Compounds 487 E-value 7760.09
Click to view 3D structure	Fatty acid synthase	P12276	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.2 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 2 E-value 8.40772
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.233 Low confidence Statistical Significance 0.9858 Supporting Reference Compounds 189 E-value 7674.69
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.157 Low confidence Statistical Significance 0.9975 Supporting Reference Compounds 686 E-value 7765.85